CID 145867528

2375270-32-7

Structural Information

Molecular Formula
C6H12N2O3S
SMILES
COC(=O)C1CN(C1)S(=N)(=O)C
InChI
InChI=1S/C6H12N2O3S/c1-11-6(9)5-3-8(4-5)12(2,7)10/h5,7H,3-4H2,1-2H3
InChIKey
YJKCTCOCWHJDDI-UHFFFAOYSA-N
Compound name
methyl 1-(methylsulfonimidoyl)azetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06415 137.8
[M+Na]+ 215.04609 142.7
[M-H]- 191.04959 139.7
[M+NH4]+ 210.09069 149.2
[M+K]+ 231.02003 144.9
[M+H-H2O]+ 175.05413 125.7
[M+HCOO]- 237.05507 152.4
[M+CH3COO]- 251.07072 184.9
[M+Na-2H]- 213.03154 140.0
[M]+ 192.05632 147.4
[M]- 192.05742 147.4
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

No patent data available for this compound.