CID 24899360

3-amino-2,4-dihydroxybenzoate

Structural Information

Molecular Formula
C7H7NO4
SMILES
C1=CC(=C(C(=C1C(=O)O)O)N)O
InChI
InChI=1S/C7H7NO4/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,9-10H,8H2,(H,11,12)
InChIKey
GBAYSGRTRJSJIK-UHFFFAOYSA-N
Compound name
3-amino-2,4-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

169.0375 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 131.3
[M+Na]+ 192.02672 140.0
[M-H]- 168.03022 131.6
[M+NH4]+ 187.07132 149.5
[M+K]+ 208.00066 137.6
[M+H-H2O]+ 152.03476 126.4
[M+HCOO]- 214.03570 152.4
[M+CH3COO]- 228.05135 174.2
[M+Na-2H]- 190.01217 134.9
[M]+ 169.03695 128.7
[M]- 169.03805 128.7
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