CID 22054

1-ethyl-2-methylbenzimidazole

Structural Information

Molecular Formula
C10H12N2
SMILES
CCN1C(=NC2=CC=CC=C21)C
InChI
InChI=1S/C10H12N2/c1-3-12-8(2)11-9-6-4-5-7-10(9)12/h4-7H,3H2,1-2H3
InChIKey
IPNPFISPYWNXBR-UHFFFAOYSA-N
Compound name
1-ethyl-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

344
Patents

160.10005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 132.1
[M+Na]+ 183.08927 143.6
[M-H]- 159.09277 134.8
[M+NH4]+ 178.13387 153.9
[M+K]+ 199.06321 140.3
[M+H-H2O]+ 143.09731 125.3
[M+HCOO]- 205.09825 155.9
[M+CH3COO]- 219.11390 146.9
[M+Na-2H]- 181.07472 139.9
[M]+ 160.09950 135.2
[M]- 160.10060 135.2
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