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]+ 194.04816 137.1
[M+Na]+ 216.03010 142.3
[M-H]- 192.03360 137.7
[M+NH4]+ 211.07470 149.8
[M+K]+ 232.00404 144.4
[M+H-H2O]+ 176.03814 127.2
[M+HCOO]- 238.03908 149.7
[M+CH3COO]- 252.05473 178.1
[M+Na-2H]- 214.01555 140.9
[M]+ 193.04033 147.3
[M]- 193.04143 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.