CID 4673713

Ethyl 2,4-dihydroxy-3-methylbenzoate

Structural Information

Molecular Formula
C10H12O4
SMILES
CCOC(=O)C1=C(C(=C(C=C1)O)C)O
InChI
InChI=1S/C10H12O4/c1-3-14-10(13)7-4-5-8(11)6(2)9(7)12/h4-5,11-12H,3H2,1-2H3
InChIKey
UVPPZNJTHYPGSF-UHFFFAOYSA-N
Compound name
ethyl 2,4-dihydroxy-3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07356 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 139.4
[M+Na]+ 219.06278 148.2
[M-H]- 195.06628 141.2
[M+NH4]+ 214.10738 158.1
[M+K]+ 235.03672 146.4
[M+H-H2O]+ 179.07082 134.3
[M+HCOO]- 241.07176 160.7
[M+CH3COO]- 255.08741 180.3
[M+Na-2H]- 217.04823 142.8
[M]+ 196.07301 141.5
[M]- 196.07411 141.5
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