CID 417612

Einecs 277-568-3

Structural Information

Molecular Formula
C10H13N3
SMILES
CCN1C(=NC2=C1C=CC(=C2)N)C
InChI
InChI=1S/C10H13N3/c1-3-13-7(2)12-9-6-8(11)4-5-10(9)13/h4-6H,3,11H2,1-2H3
InChIKey
RLOVAGFZMREHEK-UHFFFAOYSA-N
Compound name
1-ethyl-2-methylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

74
Patents

175.11095 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 136.7
[M+Na]+ 198.100168 148.3
[M-H]- 174.103674 139.4
[M+NH4]+ 193.144773 157.7
[M+K]+ 214.074108 144.5
[M+H-H2O]+ 158.108210 129.9
[M+HCOO]- 220.109151 161.0
[M+CH3COO]- 234.124801 151.1
[M+Na-2H]- 196.085616 143.3
[M]+ 175.11040142 138.6
[M]- 175.11149858 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe