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

13
Patents

207.05653 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 142.3
[M+Na]+ 230.045748 148.8
[M-H]- 206.049254 142.7
[M+NH4]+ 225.090353 159.4
[M+K]+ 246.019688 146.6
[M+H-H2O]+ 190.053790 136.7
[M+HCOO]- 252.054731 155.0
[M+CH3COO]- 266.070381 177.5
[M+Na-2H]- 228.031196 145.2
[M]+ 207.05598142 141.6
[M]- 207.05707858 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe