CID 21472426

3-ethyl-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
CCC1=C(C=CC(=C1)C(=O)O)O
InChI
InChI=1S/C9H10O3/c1-2-6-5-7(9(11)12)3-4-8(6)10/h3-5,10H,2H2,1H3,(H,11,12)
InChIKey
XSAVLGOTFYRGCX-UHFFFAOYSA-N
Compound name
3-ethyl-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

166.06299 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.4
[M+Na]+ 189.05221 145.3
[M+NH4]+ 184.09681 140.8
[M+K]+ 205.02615 140.5
[M-H]- 165.05571 133.9
[M+Na-2H]- 187.03766 138.7
[M]+ 166.06244 135.0
[M]- 166.06354 135.0
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

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