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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06381 142.3
[M+Na]+ 230.04575 148.8
[M-H]- 206.04925 142.7
[M+NH4]+ 225.09035 159.4
[M+K]+ 246.01969 146.6
[M+H-H2O]+ 190.05379 136.7
[M+HCOO]- 252.05473 155.0
[M+CH3COO]- 266.07038 177.5
[M+Na-2H]- 228.03120 145.2
[M]+ 207.05598 141.6
[M]- 207.05708 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