CID 12889094

(4-oxoazetidin-2-yl)methyl methanesulfonate

Structural Information

Molecular Formula
C5H9NO4S
SMILES
CS(=O)(=O)OCC1CC(=O)N1
InChI
InChI=1S/C5H9NO4S/c1-11(8,9)10-3-4-2-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)
InChIKey
GJMNDGSMSZLFFN-UHFFFAOYSA-N
Compound name
(4-oxoazetidin-2-yl)methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

179.02522 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032496 130.0
[M+Na]+ 202.014438 135.9
[M-H]- 178.017944 130.7
[M+NH4]+ 197.059043 141.6
[M+K]+ 217.988378 137.6
[M+H-H2O]+ 162.022480 118.9
[M+HCOO]- 224.023421 143.9
[M+CH3COO]- 238.039071 176.6
[M+Na-2H]- 199.999886 133.3
[M]+ 179.02467142 140.4
[M]- 179.02576858 140.4
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