CID 95396461

1807939-49-6

Structural Information

Molecular Formula
C7H13N3O
SMILES
CN1[C@@H]2CCNC[C@@H]2NC1=O
InChI
InChI=1S/C7H13N3O/c1-10-6-2-3-8-4-5(6)9-7(10)11/h5-6,8H,2-4H2,1H3,(H,9,11)/t5-,6+/m0/s1
InChIKey
FPHXPEVYGTUARP-NTSWFWBYSA-N
Compound name
(3aS,7aR)-1-methyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 136.2
[M+Na]+ 178.09509 143.0
[M-H]- 154.09859 133.2
[M+NH4]+ 173.13969 154.6
[M+K]+ 194.06903 139.6
[M+H-H2O]+ 138.10313 129.1
[M+HCOO]- 200.10407 149.6
[M+CH3COO]- 214.11972 146.9
[M+Na-2H]- 176.08054 139.1
[M]+ 155.10532 128.5
[M]- 155.10642 128.5
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.