CID 66753

Methanesulfonic acid, 1-((2-methylphenyl)amino)-

Structural Information

Molecular Formula
C8H11NO3S
SMILES
CC1=CC=CC=C1NCS(=O)(=O)O
InChI
InChI=1S/C8H11NO3S/c1-7-4-2-3-5-8(7)9-6-13(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)
InChIKey
HFFSVWNRHLTGLV-UHFFFAOYSA-N
Compound name
(2-methylanilino)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

201.04596 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05324 139.7
[M+Na]+ 224.03518 147.8
[M-H]- 200.03868 142.4
[M+NH4]+ 219.07978 158.4
[M+K]+ 240.00912 144.6
[M+H-H2O]+ 184.04322 134.1
[M+HCOO]- 246.04416 158.1
[M+CH3COO]- 260.05981 180.4
[M+Na-2H]- 222.02063 145.1
[M]+ 201.04541 141.4
[M]- 201.04651 141.4
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