CID 12101989

Methyl 5-ethyl-2-hydroxybenzoate

Structural Information

Molecular Formula
C10H12O3
SMILES
CCC1=CC(=C(C=C1)O)C(=O)OC
InChI
InChI=1S/C10H12O3/c1-3-7-4-5-9(11)8(6-7)10(12)13-2/h4-6,11H,3H2,1-2H3
InChIKey
UYQRNNVMBJNSFD-UHFFFAOYSA-N
Compound name
methyl 5-ethyl-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
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 136.4
[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