CID 84437

Methyl tosylcarbamate

Structural Information

Molecular Formula
C9H11NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC
InChI
InChI=1S/C9H11NO4S/c1-7-3-5-8(6-4-7)15(12,13)10-9(11)14-2/h3-6H,1-2H3,(H,10,11)
InChIKey
KNVDHKOSDVFZTO-UHFFFAOYSA-N
Compound name
methyl N-(4-methylphenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

229.04088 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04816 146.4
[M+Na]+ 252.03010 154.5
[M-H]- 228.03360 150.6
[M+NH4]+ 247.07470 164.6
[M+K]+ 268.00404 152.5
[M+H-H2O]+ 212.03814 140.4
[M+HCOO]- 274.03908 165.5
[M+CH3COO]- 288.05473 186.7
[M+Na-2H]- 250.01555 150.9
[M]+ 229.04033 150.3
[M]- 229.04143 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe