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

1
Patents

196.07356 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 139.4
[M+Na]+ 219.062778 148.2
[M-H]- 195.066284 141.2
[M+NH4]+ 214.107383 158.1
[M+K]+ 235.036718 146.4
[M+H-H2O]+ 179.070820 134.3
[M+HCOO]- 241.071761 160.7
[M+CH3COO]- 255.087411 180.3
[M+Na-2H]- 217.048226 142.8
[M]+ 196.07301142 141.5
[M]- 196.07410858 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