CID 44203158

15785-53-2

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC1=CC(=CC(=C1O)N)C(=O)O
InChI
InChI=1S/C8H9NO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,9H2,1H3,(H,11,12)
InChIKey
YBLOPJCGAMGGRY-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxy-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

183.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 135.2
[M+Na]+ 206.04238 143.8
[M-H]- 182.04588 136.6
[M+NH4]+ 201.08698 153.5
[M+K]+ 222.01632 142.1
[M+H-H2O]+ 166.05042 129.8
[M+HCOO]- 228.05136 157.4
[M+CH3COO]- 242.06701 179.5
[M+Na-2H]- 204.02783 138.7
[M]+ 183.05261 134.8
[M]- 183.05371 134.8
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