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

82
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 137.1
[M+Na]+ 199.10799 148.0
[M-H]- 175.11149 138.7
[M+NH4]+ 194.15259 157.0
[M+K]+ 215.08193 138.0
[M+H-H2O]+ 159.11603 133.4
[M+HCOO]- 221.11697 159.5
[M+CH3COO]- 235.13262 175.0
[M+Na-2H]- 197.09344 145.8
[M]+ 176.11822 135.9
[M]- 176.11932 135.9
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.