CID 75653

Ethyl 2,4-dihydroxy-6-methylbenzoate

Structural Information

Molecular Formula
C10H12O4
SMILES
CCOC(=O)C1=C(C=C(C=C1C)O)O
InChI
InChI=1S/C10H12O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
InChIKey
UQSRXQMIXSZGLA-UHFFFAOYSA-N
Compound name
ethyl 2,4-dihydroxy-6-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

185
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

literature stripe

Patent stripe

patents stripe