CID 121552959

Rac-(3ar,7as)-1-(propan-2-yl)-octahydro-1h-imidazolidino[4,5-c]pyridin-2-one hydrochloride

Structural Information

Molecular Formula
C9H17N3O
SMILES
CC(C)N1[C@@H]2CCNC[C@@H]2NC1=O
InChI
InChI=1S/C9H17N3O/c1-6(2)12-8-3-4-10-5-7(8)11-9(12)13/h6-8,10H,3-5H2,1-2H3,(H,11,13)/t7-,8+/m0/s1
InChIKey
SUEQKDSLKSVKMR-JGVFFNPUSA-N
Compound name
(3aS,7aR)-1-propan-2-yl-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

183.13716 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.14444 145.3
[M+Na]+ 206.12638 151.0
[M-H]- 182.12988 142.1
[M+NH4]+ 201.17098 162.5
[M+K]+ 222.10032 147.6
[M+H-H2O]+ 166.13442 138.1
[M+HCOO]- 228.13536 157.0
[M+CH3COO]- 242.15101 177.7
[M+Na-2H]- 204.11183 146.0
[M]+ 183.13661 137.6
[M]- 183.13771 137.6
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.