CID 134287

2-ethyl-5-methyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C10H12N2
SMILES
CCC1=NC2=C(N1)C=C(C=C2)C
InChI
InChI=1S/C10H12N2/c1-3-10-11-8-5-4-7(2)6-9(8)12-10/h4-6H,3H2,1-2H3,(H,11,12)
InChIKey
ICWSZURISQHRLN-UHFFFAOYSA-N
Compound name
2-ethyl-6-methyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

160.10005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 132.7
[M+Na]+ 183.08927 143.8
[M-H]- 159.09277 134.1
[M+NH4]+ 178.13387 153.9
[M+K]+ 199.06321 139.7
[M+H-H2O]+ 143.09731 126.3
[M+HCOO]- 205.09825 155.1
[M+CH3COO]- 219.11390 146.9
[M+Na-2H]- 181.07472 140.1
[M]+ 160.09950 134.0
[M]- 160.10060 134.0
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