CID 19151

2-amino-5-sulfobenzoic acid

Structural Information

Molecular Formula
C7H7NO5S
SMILES
C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)N
InChI
InChI=1S/C7H7NO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,8H2,(H,9,10)(H,11,12,13)
InChIKey
MJNYPLCGWXFYPD-UHFFFAOYSA-N
Compound name
2-amino-5-sulfobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1258
Patents

217.00449 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01177 142.7
[M+Na]+ 239.99371 151.4
[M+NH4]+ 235.03831 148.0
[M+K]+ 255.96765 147.8
[M-H]- 215.99721 141.1
[M+Na-2H]- 237.97916 145.6
[M]+ 217.00394 143.5
[M]- 217.00504 143.5
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