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

112
Patents

161.10788 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11516 133.2
[M+Na]+ 184.09710 144.5
[M-H]- 160.10060 136.3
[M+NH4]+ 179.14170 154.7
[M+K]+ 200.07104 136.0
[M+H-H2O]+ 144.10514 129.2
[M+HCOO]- 206.10608 156.7
[M+CH3COO]- 220.12173 172.7
[M+Na-2H]- 182.08255 143.4
[M]+ 161.10733 135.0
[M]- 161.10843 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