CID 18712969

959237-54-8

Structural Information

Molecular Formula

C₁₀H₁₇N₃

SMILES

CC1=NC=CN1CC2CCCNC2

InChI

InChI=1S/C10H17N3/c1-9-12-5-6-13(9)8-10-3-2-4-11-7-10/h5-6,10-11H,2-4,7-8H2,1H3

InChIKey

ZBHMTCQCIMNPNR-UHFFFAOYSA-N

Compound name

3-[(2-methylimidazol-1-yl)methyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 179.14224 Da
Monoisotopic Mass: 0.7
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]+	180.14952	142.4
[M+Na]+	202.13146	148.1
[M-H]-	178.13496	142.8
[M+NH4]+	197.17606	159.2
[M+K]+	218.10540	144.9
[M+H-H2O]+	162.13950	133.5
[M+HCOO]-	224.14044	159.1
[M+CH3COO]-	238.15609	153.3
[M+Na-2H]-	200.11691	145.5
[M]+	179.14169	136.6
[M]-	179.14279	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe