CID 7126

O-anisidinomethanesulfonic acid

Structural Information

Molecular Formula
C8H11NO4S
SMILES
COC1=CC=CC=C1NCS(=O)(=O)O
InChI
InChI=1S/C8H11NO4S/c1-13-8-5-3-2-4-7(8)9-6-14(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)
InChIKey
WJORFFDFYBZRJH-UHFFFAOYSA-N
Compound name
(2-methoxyanilino)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

91
Patents

217.04088 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04816 142.7
[M+Na]+ 240.03010 150.6
[M-H]- 216.03360 145.4
[M+NH4]+ 235.07470 160.7
[M+K]+ 256.00404 148.0
[M+H-H2O]+ 200.03814 136.9
[M+HCOO]- 262.03908 161.4
[M+CH3COO]- 276.05473 182.5
[M+Na-2H]- 238.01555 148.3
[M]+ 217.04033 145.9
[M]- 217.04143 145.9
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