CID 562882

32258-50-7

Structural Information

Molecular Formula

C₁₀H₁₃NO₄S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=O)OC

InChI

InChI=1S/C10H13NO4S/c1-8-4-6-9(7-5-8)16(13,14)11(2)10(12)15-3/h4-7H,1-3H3

InChIKey

HNFZTGPTWQRQQX-UHFFFAOYSA-N

Compound name

methyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.05653 Da
Monoisotopic Mass: 2.1
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]+	244.063806	150.1
[M+Na]+	266.045748	157.9
[M-H]-	242.049254	155.7
[M+NH4]+	261.090353	168.5
[M+K]+	282.019688	157.2
[M+H-H2O]+	226.053790	143.8
[M+HCOO]-	288.054731	169.4
[M+CH3COO]-	302.070381	193.1
[M+Na-2H]-	264.031196	153.6
[M]+	243.05598142	155.8
[M]-	243.05707858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe