CID 820898

42076-29-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

CC1=NC2=CC=CC=C2N1CC#C

InChI

InChI=1S/C11H10N2/c1-3-8-13-9(2)12-10-6-4-5-7-11(10)13/h1,4-7H,8H2,2H3

InChIKey

BVJTXVFAGWQFSW-UHFFFAOYSA-N

Compound name

2-methyl-1-prop-2-ynylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 170.0844 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.09168	136.9
[M+Na]+	193.07362	151.3
[M+NH4]+	188.11822	142.4
[M+K]+	209.04756	142.3
[M-H]-	169.07712	130.8
[M+Na-2H]-	191.05907	141.1
[M]+	170.08385	136.5
[M]-	170.08495	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe