CID 410458

1-butylbenzimidazole

Structural Information

Molecular Formula
C11H14N2
SMILES
CCCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C11H14N2/c1-2-3-8-13-9-12-10-6-4-5-7-11(10)13/h4-7,9H,2-3,8H2,1H3
InChIKey
SHPPDRZENGVOOR-UHFFFAOYSA-N
Compound name
1-butylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1061
Patents

174.11569 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 136.9
[M+Na]+ 197.10491 147.0
[M-H]- 173.10841 139.1
[M+NH4]+ 192.14951 157.8
[M+K]+ 213.07885 143.5
[M+H-H2O]+ 157.11295 129.6
[M+HCOO]- 219.11389 160.4
[M+CH3COO]- 233.12954 150.9
[M+Na-2H]- 195.09036 144.9
[M]+ 174.11514 140.0
[M]- 174.11624 140.0
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