CID 81450

2-acetamido-5-aminobenzenesulfonic acid

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
CC(=O)NC1=C(C=C(C=C1)N)S(=O)(=O)O
InChI
InChI=1S/C8H10N2O4S/c1-5(11)10-7-3-2-6(9)4-8(7)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)
InChIKey
HTSAIYNUUSUYAJ-UHFFFAOYSA-N
Compound name
2-acetamido-5-aminobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

230.03613 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 147.6
[M+Na]+ 253.02535 155.8
[M+NH4]+ 248.06995 153.1
[M+K]+ 268.99929 151.6
[M-H]- 229.02885 147.3
[M+Na-2H]- 251.01080 151.0
[M]+ 230.03558 148.7
[M]- 230.03668 148.7
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