CID 121553505

1909294-20-7

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 147.0
[M+Na]+ 222.12130 155.2
[M+NH4]+ 217.16590 153.3
[M+K]+ 238.09524 152.4
[M-H]- 198.12480 145.0
[M+Na-2H]- 220.10675 147.5
[M]+ 199.13153 147.0
[M]- 199.13263 147.0
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.