CID 21624

2-propylbenzimidazole

Structural Information

Molecular Formula
C10H12N2
SMILES
CCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChIKey
FBLJZPQLNMVEMR-UHFFFAOYSA-N
Compound name
2-propyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

703
Patents

160.10005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 132.7
[M+Na]+ 183.08927 142.8
[M-H]- 159.09277 133.7
[M+NH4]+ 178.13387 153.5
[M+K]+ 199.06321 138.7
[M+H-H2O]+ 143.09731 126.0
[M+HCOO]- 205.09825 155.0
[M+CH3COO]- 219.11390 146.4
[M+Na-2H]- 181.07472 140.8
[M]+ 160.09950 133.6
[M]- 160.10060 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe