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: 28
Patents: 270.0674 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.074676	156.0
[M+Na]+	293.056618	160.1
[M-H]-	269.060124	160.0
[M+NH4]+	288.101223	163.7
[M+K]+	309.030558	161.0
[M+H-H2O]+	253.064660	142.0
[M+HCOO]-	315.065601	170.3
[M+CH3COO]-	329.081251	196.1
[M+Na-2H]-	291.042066	157.9
[M]+	270.06685142	165.3
[M]-	270.06794858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe