CID 15979484

921040-13-3

Structural Information

Molecular Formula

C₁₁H₁₃N₃

SMILES

CN1C2=C(C=C(C=C2)N)N=C1C3CC3

InChI

InChI=1S/C11H13N3/c1-14-10-5-4-8(12)6-9(10)13-11(14)7-2-3-7/h4-7H,2-3,12H2,1H3

InChIKey

LNTJHRYKXIOPJI-UHFFFAOYSA-N

Compound name

2-cyclopropyl-1-methylbenzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 187.11095 Da
Monoisotopic Mass: 1.3
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]+	188.11823	141.1
[M+Na]+	210.10017	156.4
[M+NH4]+	205.14477	150.8
[M+K]+	226.07411	152.5
[M-H]-	186.10367	151.7
[M+Na-2H]-	208.08562	151.1
[M]+	187.11040	147.4
[M]-	187.11150	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe