CID 11819615

40639-93-8

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC(=O)NC1=NC2=C(N1)CCCC2
InChI
InChI=1S/C9H13N3O/c1-6(13)10-9-11-7-4-2-3-5-8(7)12-9/h2-5H2,1H3,(H2,10,11,12,13)
InChIKey
DCHGWXCDPHNOHH-UHFFFAOYSA-N
Compound name
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

179.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 138.9
[M+Na]+ 202.095088 145.3
[M-H]- 178.098594 139.0
[M+NH4]+ 197.139693 158.0
[M+K]+ 218.069028 142.5
[M+H-H2O]+ 162.103130 131.8
[M+HCOO]- 224.104071 157.6
[M+CH3COO]- 238.119721 179.5
[M+Na-2H]- 200.080536 143.8
[M]+ 179.10532142 134.3
[M]- 179.10641858 134.3
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

patents stripe