CID 68992995

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

197.03242 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

patents stripe