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]+ 184.144436 145.3
[M+Na]+ 206.126378 151.0
[M-H]- 182.129884 142.1
[M+NH4]+ 201.170983 162.5
[M+K]+ 222.100318 147.6
[M+H-H2O]+ 166.134420 138.1
[M+HCOO]- 228.135361 157.0
[M+CH3COO]- 242.151011 177.7
[M+Na-2H]- 204.111826 146.0
[M]+ 183.13661142 137.6
[M]- 183.13770858 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.