CID 1895685

1h-benzimidazole, 2-methyl-1-nonyl-, monohydrochloride

Structural Information

Molecular Formula
C17H26N2
SMILES
CCCCCCCCCN1C(=NC2=CC=CC=C21)C
InChI
InChI=1S/C17H26N2/c1-3-4-5-6-7-8-11-14-19-15(2)18-16-12-9-10-13-17(16)19/h9-10,12-13H,3-8,11,14H2,1-2H3
InChIKey
RIMAALBWYLLICD-UHFFFAOYSA-N
Compound name
2-methyl-1-nonylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.2096 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.21688 165.0
[M+Na]+ 281.19882 173.3
[M-H]- 257.20232 166.4
[M+NH4]+ 276.24342 182.7
[M+K]+ 297.17276 168.2
[M+H-H2O]+ 241.20686 156.7
[M+HCOO]- 303.20780 186.3
[M+CH3COO]- 317.22345 200.1
[M+Na-2H]- 279.18427 168.8
[M]+ 258.20905 170.4
[M]- 258.21015 170.4
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