CID 67252

2-ethoxybenzoic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
CCOC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey
XDZMPRGFOOFSBL-UHFFFAOYSA-N
Compound name
2-ethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

5481
Patents

166.06299 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 132.3
[M+Na]+ 189.05221 140.2
[M-H]- 165.05571 134.9
[M+NH4]+ 184.09681 152.3
[M+K]+ 205.02615 138.9
[M+H-H2O]+ 149.06025 126.9
[M+HCOO]- 211.06119 155.3
[M+CH3COO]- 225.07684 175.8
[M+Na-2H]- 187.03766 138.2
[M]+ 166.06244 133.7
[M]- 166.06354 133.7
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