CID 121553505

2307783-11-3

Structural Information

Molecular Formula
C9H17N3O2
SMILES
COCCN1[C@@H]2CCNC[C@@H]2NC1=O
InChI
InChI=1S/C9H17N3O2/c1-14-5-4-12-8-2-3-10-6-7(8)11-9(12)13/h7-8,10H,2-6H2,1H3,(H,11,13)/t7-,8+/m0/s1
InChIKey
VGDTTZYJFPEEEV-JGVFFNPUSA-N
Compound name
(3aS,7aR)-1-(2-methoxyethyl)-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

199.13208 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.13936 147.4
[M+Na]+ 222.12130 153.2
[M-H]- 198.12480 144.1
[M+NH4]+ 217.16590 163.9
[M+K]+ 238.09524 149.9
[M+H-H2O]+ 182.12934 139.9
[M+HCOO]- 244.13028 160.3
[M+CH3COO]- 258.14593 178.9
[M+Na-2H]- 220.10675 149.4
[M]+ 199.13153 141.8
[M]- 199.13263 141.8
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.