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

209
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 140.7
[M+Na]+ 219.06278 152.4
[M+NH4]+ 214.10738 147.4
[M+K]+ 235.03672 148.1
[M-H]- 195.06628 140.7
[M+Na-2H]- 217.04823 145.1
[M]+ 196.07301 142.1
[M]- 196.07411 142.1
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