CID 59410897

(2-oxopiperidin-3-yl)methyl methanesulfonate

Structural Information

Molecular Formula

C₇H₁₃NO₄S

SMILES

CS(=O)(=O)OCC1CCCNC1=O

InChI

InChI=1S/C7H13NO4S/c1-13(10,11)12-5-6-3-2-4-8-7(6)9/h6H,2-5H2,1H3,(H,8,9)

InChIKey

KNCVKKYBEVNUTA-UHFFFAOYSA-N

Compound name

(2-oxopiperidin-3-yl)methyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 207.05653 Da
Monoisotopic Mass: -0.6
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]+	208.06381	143.8
[M+Na]+	230.04575	152.2
[M+NH4]+	225.09035	149.9
[M+K]+	246.01969	146.9
[M-H]-	206.04925	142.0
[M+Na-2H]-	228.03120	145.8
[M]+	207.05598	144.5
[M]-	207.05708	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe