CID 22155860

1267435-99-3

Structural Information

Molecular Formula

C₈H₁₄ClNO

SMILES

CC1CC(CN(C1)C(=O)Cl)C

InChI

InChI=1S/C8H14ClNO/c1-6-3-7(2)5-10(4-6)8(9)11/h6-7H,3-5H2,1-2H3

InChIKey

XKWWTGFKHIQSCM-UHFFFAOYSA-N

Compound name

3,5-dimethylpiperidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 175.07639 Da
Monoisotopic Mass: 2.5
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]+	176.08367	136.4
[M+Na]+	198.06561	143.9
[M-H]-	174.06911	138.2
[M+NH4]+	193.11021	156.5
[M+K]+	214.03955	141.3
[M+H-H2O]+	158.07365	131.4
[M+HCOO]-	220.07459	150.5
[M+CH3COO]-	234.09024	179.5
[M+Na-2H]-	196.05106	139.1
[M]+	175.07584	134.8
[M]-	175.07694	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe