CID 52206

Einecs 277-568-3

Structural Information

Molecular Formula
C10H14N3
SMILES
CC[N+]1=C(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/p+1
InChIKey
RLOVAGFZMREHEK-UHFFFAOYSA-O
Compound name
1-ethyl-2-methyl-3H-benzimidazol-1-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

79
Patents

176.11877 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12605 133.9
[M+Na]+ 199.10799 149.2
[M+NH4]+ 194.15259 143.6
[M+K]+ 215.08193 145.2
[M-H]- 175.11149 137.6
[M+Na-2H]- 197.09344 141.2
[M]+ 176.11822 137.4
[M]- 176.11932 137.4
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

No patent data available for this compound.