CID 14762750

127595-09-9

Structural Information

Molecular Formula

C₇H₁₂ClNO₂

SMILES

CN1CCC(CC1)OC(=O)Cl

InChI

InChI=1S/C7H12ClNO2/c1-9-4-2-6(3-5-9)11-7(8)10/h6H,2-5H2,1H3

InChIKey

FKTCBHHHFUUZDI-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 177.05565 Da
Monoisotopic Mass: 1.8
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]+	178.062926	135.2
[M+Na]+	200.044868	142.1
[M-H]-	176.048374	136.8
[M+NH4]+	195.089473	154.8
[M+K]+	216.018808	140.2
[M+H-H2O]+	160.052910	129.8
[M+HCOO]-	222.053851	149.8
[M+CH3COO]-	236.069501	177.3
[M+Na-2H]-	198.030316	139.1
[M]+	177.05510142	134.3
[M]-	177.05619858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe