CID 1713139

13060-24-7

Structural Information

Molecular Formula
C15H22N2
SMILES
CCCCCCCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C15H22N2/c1-2-3-4-5-6-7-12-15-16-13-10-8-9-11-14(13)17-15/h8-11H,2-7,12H2,1H3,(H,16,17)
InChIKey
IRMWQHINYNTMNS-UHFFFAOYSA-N
Compound name
2-octyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

764
Patents

230.1783 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.185576 155.9
[M+Na]+ 253.167518 163.7
[M-H]- 229.171024 155.9
[M+NH4]+ 248.212123 173.8
[M+K]+ 269.141458 158.3
[M+H-H2O]+ 213.175560 148.0
[M+HCOO]- 275.176501 176.5
[M+CH3COO]- 289.192151 190.4
[M+Na-2H]- 251.152966 161.2
[M]+ 230.17775142 158.4
[M]- 230.17884858 158.4
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