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

7
Patents

197.03242 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.039696 137.3
[M+Na]+ 220.021638 145.3
[M-H]- 196.025144 137.4
[M+NH4]+ 215.066243 154.1
[M+K]+ 235.995578 143.4
[M+H-H2O]+ 180.029680 132.0
[M+HCOO]- 242.030621 157.4
[M+CH3COO]- 256.046271 179.8
[M+Na-2H]- 218.007086 139.1
[M]+ 197.03187142 135.1
[M]- 197.03296858 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