CID 459347

4-amino-6-hydroxybenzene-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C8H7NO5
SMILES
C1=C(C(=CC(=C1C(=O)O)O)N)C(=O)O
InChI
InChI=1S/C8H7NO5/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,10H,9H2,(H,11,12)(H,13,14)
InChIKey
BLBBHFYLFBKYNA-UHFFFAOYSA-N
Compound name
4-amino-6-hydroxybenzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

197.03242 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03970 137.3
[M+Na]+ 220.02164 145.3
[M-H]- 196.02514 137.4
[M+NH4]+ 215.06624 154.1
[M+K]+ 235.99558 143.4
[M+H-H2O]+ 180.02968 132.0
[M+HCOO]- 242.03062 157.4
[M+CH3COO]- 256.04627 179.8
[M+Na-2H]- 218.00709 139.1
[M]+ 197.03187 135.1
[M]- 197.03297 135.1
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