CID 4555894

134619-46-8

Structural Information

Molecular Formula
C10H13N2
SMILES
CCN1C=[N+](C2=CC=CC=C21)C
InChI
InChI=1S/C10H13N2/c1-3-12-8-11(2)9-6-4-5-7-10(9)12/h4-8H,3H2,1-2H3/q+1
InChIKey
LVZGLAIUMAWQSN-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylbenzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

161.10788 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.115156 133.2
[M+Na]+ 184.097098 144.5
[M-H]- 160.100604 136.3
[M+NH4]+ 179.141703 154.7
[M+K]+ 200.071038 136.0
[M+H-H2O]+ 144.105140 129.2
[M+HCOO]- 206.106081 156.7
[M+CH3COO]- 220.121731 172.7
[M+Na-2H]- 182.082546 143.4
[M]+ 161.10733142 135.0
[M]- 161.10842858 135.0
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