CID 836246

17413-08-0

Structural Information

Molecular Formula
C10H11N3O
SMILES
CCC(=O)NC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H11N3O/c1-2-9(14)13-10-11-7-5-3-4-6-8(7)12-10/h3-6H,2H2,1H3,(H2,11,12,13,14)
InChIKey
YAURMDVFWWAYJC-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

189.09021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.1
[M+Na]+ 212.07943 148.2
[M-H]- 188.08293 140.3
[M+NH4]+ 207.12403 158.2
[M+K]+ 228.05337 144.4
[M+H-H2O]+ 172.08747 132.0
[M+HCOO]- 234.08841 161.9
[M+CH3COO]- 248.10406 181.6
[M+Na-2H]- 210.06488 146.6
[M]+ 189.08966 139.3
[M]- 189.09076 139.3
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