CID 95359

2,3-dimethylpiperidine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC1CCCNC1C

InChI

InChI=1S/C7H15N/c1-6-4-3-5-8-7(6)2/h6-8H,3-5H2,1-2H3

InChIKey

DRLFSUDDXLQHJT-UHFFFAOYSA-N

Compound name

2,3-dimethylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 308
Patents: 113.12045 Da
Monoisotopic Mass: 1.5
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]+	114.12773	125.6
[M+Na]+	136.10967	131.3
[M-H]-	112.11317	125.9
[M+NH4]+	131.15427	146.4
[M+K]+	152.08361	129.7
[M+H-H2O]+	96.117710	120.0
[M+HCOO]-	158.11865	143.6
[M+CH3COO]-	172.13430	167.5
[M+Na-2H]-	134.09512	130.7
[M]+	113.11990	119.4
[M]-	113.12100	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe