CID 1893437

1-octylbenzimidazole

Structural Information

Molecular Formula
C15H22N2
SMILES
CCCCCCCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C15H22N2/c1-2-3-4-5-6-9-12-17-13-16-14-10-7-8-11-15(14)17/h7-8,10-11,13H,2-6,9,12H2,1H3
InChIKey
JSSQYTBESFITPK-UHFFFAOYSA-N
Compound name
1-octylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

97
Patents

230.1783 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.185576 155.6
[M+Na]+ 253.167518 163.9
[M-H]- 229.171024 157.0
[M+NH4]+ 248.212123 174.2
[M+K]+ 269.141458 159.4
[M+H-H2O]+ 213.175560 147.4
[M+HCOO]- 275.176501 177.7
[M+CH3COO]- 289.192151 193.1
[M+Na-2H]- 251.152966 161.3
[M]+ 230.17775142 160.0
[M]- 230.17884858 160.0
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