CID 11840981

(3ar,6r,6as)-6-((s)-((s)-cyclohex-2-enyl)(hydroxy)methyl)-6a-methyl-4-oxo-hexahydro-2h-furo[3,2-c]pyrrole-6-carbaldehyde

Structural Information

Molecular Formula
C15H21NO4
SMILES
C[C@@]12[C@@H](CCO1)C(=O)N[C@]2(C=O)[C@H]([C@H]3CCCC=C3)O
InChI
InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1
InChIKey
YVABESCRHMBHJD-FUQNVFFISA-N
Compound name
(3aR,6R,6aS)-6-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-6a-methyl-4-oxo-2,3,3a,5-tetrahydrofuro[2,3-c]pyrrole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 164.9
[M+Na]+ 302.13628 170.3
[M-H]- 278.13978 168.5
[M+NH4]+ 297.18088 184.8
[M+K]+ 318.11022 167.7
[M+H-H2O]+ 262.14432 160.2
[M+HCOO]- 324.14526 177.9
[M+CH3COO]- 338.16091 191.5
[M+Na-2H]- 300.12173 165.4
[M]+ 279.14651 160.4
[M]- 279.14761 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.