CID 52208

2-amino-1-ethyl-3-(2-propynyl)benzimidazole bromide

Structural Information

Molecular Formula
C12H14N3
SMILES
CCN1C2=CC=CC=C2[N+](=C1N)CC#C
InChI
InChI=1S/C12H13N3/c1-3-9-15-11-8-6-5-7-10(11)14(4-2)12(15)13/h1,5-8,13H,4,9H2,2H3/p+1
InChIKey
YHQUJHFYHGUNBU-UHFFFAOYSA-O
Compound name
1-ethyl-3-prop-2-ynylbenzimidazol-3-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.11877 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12605 148.2
[M+Na]+ 223.10799 160.5
[M-H]- 199.11149 148.3
[M+NH4]+ 218.15259 165.0
[M+K]+ 239.08193 149.3
[M+H-H2O]+ 183.11603 137.0
[M+HCOO]- 245.11697 165.1
[M+CH3COO]- 259.13262 190.1
[M+Na-2H]- 221.09344 154.1
[M]+ 200.11822 142.8
[M]- 200.11932 142.8
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.