CID 5281864

Meteloidine

Structural Information

Molecular Formula
C13H21NO4
SMILES
C/C=C(\C)/C(=O)OC1CC2[C@@H]([C@@H](C(C1)N2C)O)O
InChI
InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8?,9?,10?,11-,12+
InChIKey
YZFJTFVPCWEPND-JHOCIBHQSA-N
Compound name
[(6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

255.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 160.4
[M+Na]+ 278.136278 166.3
[M-H]- 254.139784 158.9
[M+NH4]+ 273.180883 178.6
[M+K]+ 294.110218 163.7
[M+H-H2O]+ 238.144320 155.7
[M+HCOO]- 300.145261 172.9
[M+CH3COO]- 314.160911 193.0
[M+Na-2H]- 276.121726 158.5
[M]+ 255.14651142 158.8
[M]- 255.14760858 158.8
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.