CID 72133015

Benzyl 3-sulfamoylazetidine-1-carboxylate

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)S(=O)(=O)N
InChI
InChI=1S/C11H14N2O4S/c12-18(15,16)10-6-13(7-10)11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,15,16)
InChIKey
GMBCPFPNESHHLO-UHFFFAOYSA-N
Compound name
benzyl 3-sulfamoylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

270.0674 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07468 156.0
[M+Na]+ 293.05662 160.1
[M-H]- 269.06012 160.0
[M+NH4]+ 288.10122 163.7
[M+K]+ 309.03056 161.0
[M+H-H2O]+ 253.06466 142.0
[M+HCOO]- 315.06560 170.3
[M+CH3COO]- 329.08125 196.1
[M+Na-2H]- 291.04207 157.9
[M]+ 270.06685 165.3
[M]- 270.06795 165.3
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

patents stripe