CID 13013009

Ethyl 2-hydroxy-4-methylbenzoate

Structural Information

Molecular Formula
C10H12O3
SMILES
CCOC(=O)C1=C(C=C(C=C1)C)O
InChI
InChI=1S/C10H12O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h4-6,11H,3H2,1-2H3
InChIKey
QABFSRANYBCWPK-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

136
Patents

180.07864 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.4
[M+Na]+ 203.06786 144.8
[M-H]- 179.07136 139.3
[M+NH4]+ 198.11246 156.2
[M+K]+ 219.04180 143.3
[M+H-H2O]+ 163.07590 131.1
[M+HCOO]- 225.07684 159.1
[M+CH3COO]- 239.09249 179.4
[M+Na-2H]- 201.05331 141.0
[M]+ 180.07809 138.5
[M]- 180.07919 138.5
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