CID 12279760

25810-67-7

Structural Information

Molecular Formula

C₁₂H₁₇N₃

SMILES

CC(C)CC(C1=NC2=CC=CC=C2N1)N

InChI

InChI=1S/C12H17N3/c1-8(2)7-9(13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8-9H,7,13H2,1-2H3,(H,14,15)

InChIKey

NZXOCEISVOCBCD-UHFFFAOYSA-N

Compound name

1-(1H-benzimidazol-2-yl)-3-methylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.14224 Da
Monoisotopic Mass: 2.4
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]+	204.14952	146.0
[M+Na]+	226.13146	157.3
[M+NH4]+	221.17606	153.8
[M+K]+	242.10540	153.4
[M-H]-	202.13496	147.2
[M+Na-2H]-	224.11691	151.2
[M]+	203.14169	147.7
[M]-	203.14279	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe