CID 348692

3-ethyl-2-hydroxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

908
Patents

166.06299 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 132.3
[M+Na]+ 189.05221 140.7
[M-H]- 165.05571 134.0
[M+NH4]+ 184.09681 151.9
[M+K]+ 205.02615 138.5
[M+H-H2O]+ 149.06025 127.5
[M+HCOO]- 211.06119 153.8
[M+CH3COO]- 225.07684 174.5
[M+Na-2H]- 187.03766 137.0
[M]+ 166.06244 132.3
[M]- 166.06354 132.3
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