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

24
Patents

189.09021 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 139.1
[M+Na]+ 212.079428 148.2
[M-H]- 188.082934 140.3
[M+NH4]+ 207.124033 158.2
[M+K]+ 228.053368 144.4
[M+H-H2O]+ 172.087470 132.0
[M+HCOO]- 234.088411 161.9
[M+CH3COO]- 248.104061 181.6
[M+Na-2H]- 210.064876 146.6
[M]+ 189.08966142 139.3
[M]- 189.09075858 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