CID 705710

2-(4-methoxybenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C9H11NO5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C9H11NO5S/c1-15-7-2-4-8(5-3-7)16(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKey
YMPHCYPWPATWRU-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

245.0358 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04308 149.2
[M+Na]+ 268.02502 156.3
[M-H]- 244.02852 151.6
[M+NH4]+ 263.06962 165.7
[M+K]+ 283.99896 154.0
[M+H-H2O]+ 228.03306 143.1
[M+HCOO]- 290.03400 166.8
[M+CH3COO]- 304.04965 187.8
[M+Na-2H]- 266.01047 153.4
[M]+ 245.03525 152.7
[M]- 245.03635 152.7
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