CID 12961849

79098-81-0

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

CC1=NC2=CC=CC=C2N1C3CCNCC3

InChI

InChI=1S/C13H17N3/c1-10-15-12-4-2-3-5-13(12)16(10)11-6-8-14-9-7-11/h2-5,11,14H,6-9H2,1H3

InChIKey

WGJYFRCGHVCIHT-UHFFFAOYSA-N

Compound name

2-methyl-1-piperidin-4-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 215.14224 Da
Monoisotopic Mass: 1.9
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]+	216.14952	149.4
[M+Na]+	238.13146	157.3
[M-H]-	214.13496	151.4
[M+NH4]+	233.17606	166.0
[M+K]+	254.10540	152.0
[M+H-H2O]+	198.13950	140.4
[M+HCOO]-	260.14044	166.3
[M+CH3COO]-	274.15609	160.6
[M+Na-2H]-	236.11691	154.1
[M]+	215.14169	145.3
[M]-	215.14279	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe