CID 436503

1-methylpiperidine-4-carbonyl chloride hydrochloride

Structural Information

Molecular Formula

C₇H₁₂ClNO

SMILES

CN1CCC(CC1)C(=O)Cl

InChI

InChI=1S/C7H12ClNO/c1-9-4-2-6(3-5-9)7(8)10/h6H,2-5H2,1H3

InChIKey

MIVZCINZDWIBJS-UHFFFAOYSA-N

Compound name

1-methylpiperidine-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 445
Patents: 161.06075 Da
Monoisotopic Mass: 1.3
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]+	162.068026	132.2
[M+Na]+	184.049968	139.1
[M-H]-	160.053474	133.8
[M+NH4]+	179.094573	152.4
[M+K]+	200.023908	136.7
[M+H-H2O]+	144.058010	127.0
[M+HCOO]-	206.058951	146.6
[M+CH3COO]-	220.074601	176.0
[M+Na-2H]-	182.035416	136.2
[M]+	161.06020142	129.9
[M]-	161.06129858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe