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

17
Patents

179.02522 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03250 130.0
[M+Na]+ 202.01444 135.9
[M-H]- 178.01794 130.7
[M+NH4]+ 197.05904 141.6
[M+K]+ 217.98838 137.6
[M+H-H2O]+ 162.02248 118.9
[M+HCOO]- 224.02342 143.9
[M+CH3COO]- 238.03907 176.6
[M+Na-2H]- 199.99989 133.3
[M]+ 179.02467 140.4
[M]- 179.02577 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