CID 23343061

2-ethoxy-4-methylbenzoic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
CCOC1=C(C=CC(=C1)C)C(=O)O
InChI
InChI=1S/C10H12O3/c1-3-13-9-6-7(2)4-5-8(9)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChIKey
DDNLKGZAXUDTMJ-UHFFFAOYSA-N
Compound name
2-ethoxy-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

180.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.1
[M+Na]+ 203.06786 144.5
[M-H]- 179.07136 139.0
[M+NH4]+ 198.11246 155.9
[M+K]+ 219.04180 143.0
[M+H-H2O]+ 163.07590 130.8
[M+HCOO]- 225.07684 158.8
[M+CH3COO]- 239.09249 180.0
[M+Na-2H]- 201.05331 140.8
[M]+ 180.07809 138.4
[M]- 180.07919 138.4
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