CID 155971090

Methyl 3-methanesulfonylazetidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H11NO4S
SMILES
COC(=O)C1(CNC1)S(=O)(=O)C
InChI
InChI=1S/C6H11NO4S/c1-11-5(8)6(3-7-4-6)12(2,9)10/h7H,3-4H2,1-2H3
InChIKey
IINHHYXJSUETGX-UHFFFAOYSA-N
Compound name
methyl 3-methylsulfonylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.048156 137.1
[M+Na]+ 216.030098 142.3
[M-H]- 192.033604 137.7
[M+NH4]+ 211.074703 149.8
[M+K]+ 232.004038 144.4
[M+H-H2O]+ 176.038140 127.2
[M+HCOO]- 238.039081 149.7
[M+CH3COO]- 252.054731 178.1
[M+Na-2H]- 214.015546 140.9
[M]+ 193.04033142 147.3
[M]- 193.04142858 147.3
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.