CID 52204

3-allyl-2-amino-1-ethylbenzimidazole bromide

Structural Information

Molecular Formula
C12H16N3
SMILES
CCN1C2=CC=CC=C2[N+](=C1N)CC=C
InChI
InChI=1S/C12H15N3/c1-3-9-15-11-8-6-5-7-10(11)14(4-2)12(15)13/h3,5-8,13H,1,4,9H2,2H3/p+1
InChIKey
BQOVFDKHAWCJFY-UHFFFAOYSA-O
Compound name
1-ethyl-3-prop-2-enylbenzimidazol-3-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13443 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14171 145.4
[M+Na]+ 225.12365 156.1
[M-H]- 201.12715 148.0
[M+NH4]+ 220.16825 164.8
[M+K]+ 241.09759 145.9
[M+H-H2O]+ 185.13169 141.0
[M+HCOO]- 247.13263 168.8
[M+CH3COO]- 261.14828 182.7
[M+Na-2H]- 223.10910 153.3
[M]+ 202.13388 145.9
[M]- 202.13498 145.9
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.