CID 522729

3-ethoxy-4-hydroxybenzeneacetic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
CCOC1=C(C=CC(=C1)CC(=O)O)O
InChI
InChI=1S/C10H12O4/c1-2-14-9-5-7(6-10(12)13)3-4-8(9)11/h3-5,11H,2,6H2,1H3,(H,12,13)
InChIKey
QVXSHYZATYQYGE-UHFFFAOYSA-N
Compound name
2-(3-ethoxy-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

196.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 139.9
[M+Na]+ 219.062778 147.7
[M-H]- 195.066284 141.3
[M+NH4]+ 214.107383 158.2
[M+K]+ 235.036718 145.9
[M+H-H2O]+ 179.070820 134.5
[M+HCOO]- 241.071761 161.2
[M+CH3COO]- 255.087411 179.7
[M+Na-2H]- 217.048226 144.0
[M]+ 196.07301142 141.7
[M]- 196.07410858 141.7
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