CID 252336

2-nonyl benzimidazole

Structural Information

Molecular Formula
C16H24N2
SMILES
CCCCCCCCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C16H24N2/c1-2-3-4-5-6-7-8-13-16-17-14-11-9-10-12-15(14)18-16/h9-12H,2-8,13H2,1H3,(H,17,18)
InChIKey
YECSLYXTXWSKBO-UHFFFAOYSA-N
Compound name
2-nonyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

870
Patents

244.19395 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.201226 160.5
[M+Na]+ 267.183168 167.8
[M-H]- 243.186674 160.3
[M+NH4]+ 262.227773 177.8
[M+K]+ 283.157108 162.2
[M+H-H2O]+ 227.191210 152.4
[M+HCOO]- 289.192151 180.7
[M+CH3COO]- 303.207801 193.4
[M+Na-2H]- 265.168616 165.2
[M]+ 244.19340142 163.4
[M]- 244.19449858 163.4
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