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

25
Patents

179.10587 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 138.9
[M+Na]+ 202.09509 145.3
[M-H]- 178.09859 139.0
[M+NH4]+ 197.13969 158.0
[M+K]+ 218.06903 142.5
[M+H-H2O]+ 162.10313 131.8
[M+HCOO]- 224.10407 157.6
[M+CH3COO]- 238.11972 179.5
[M+Na-2H]- 200.08054 143.8
[M]+ 179.10532 134.3
[M]- 179.10642 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