CID 132351039

2137684-14-9

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1COC[C@H]2[C@@]1(CNC2)C(=O)N
InChI
InChI=1S/C8H14N2O2/c9-7(11)8-1-2-12-4-6(8)3-10-5-8/h6,10H,1-5H2,(H2,9,11)/t6-,8+/m0/s1
InChIKey
OYUCODWDMDHVDV-POYBYMJQSA-N
Compound name
(3aS,7aS)-2,3,3a,4,6,7-hexahydro-1H-pyrano[3,4-c]pyrrole-7a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 136.6
[M+Na]+ 193.09475 141.4
[M-H]- 169.09825 137.5
[M+NH4]+ 188.13935 157.3
[M+K]+ 209.06869 140.4
[M+H-H2O]+ 153.10279 131.0
[M+HCOO]- 215.10373 152.5
[M+CH3COO]- 229.11938 175.1
[M+Na-2H]- 191.08020 141.6
[M]+ 170.10498 129.3
[M]- 170.10608 129.3
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.