CID 26441

Skf 7711

Structural Information

Molecular Formula

C₁₀H₁₃NO₄S

SMILES

CC(C)OC(=O)C1=CC=CC=C1S(=O)(=O)N

InChI

InChI=1S/C10H13NO4S/c1-7(2)15-10(12)8-5-3-4-6-9(8)16(11,13)14/h3-7H,1-2H3,(H2,11,13,14)

InChIKey

UADGDKCDJALXDM-UHFFFAOYSA-N

Compound name

propan-2-yl 2-sulfamoylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 75
Patents: 243.05653 Da
Monoisotopic Mass: 1.1
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]+	244.06381	150.9
[M+Na]+	266.04575	158.1
[M-H]-	242.04925	154.3
[M+NH4]+	261.09035	168.1
[M+K]+	282.01969	156.1
[M+H-H2O]+	226.05379	144.8
[M+HCOO]-	288.05473	167.9
[M+CH3COO]-	302.07038	190.6
[M+Na-2H]-	264.03120	152.8
[M]+	243.05598	153.7
[M]-	243.05708	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe