CID 3084545

Ethyl 2,4-dihydroxy-3,6-dimethylbenzoate

Structural Information

Molecular Formula
C11H14O4
SMILES
CCOC(=O)C1=C(C(=C(C=C1C)O)C)O
InChI
InChI=1S/C11H14O4/c1-4-15-11(14)9-6(2)5-8(12)7(3)10(9)13/h5,12-13H,4H2,1-3H3
InChIKey
VJLLNFDLMWPNBN-UHFFFAOYSA-N
Compound name
ethyl 2,4-dihydroxy-3,6-dimethylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

69
Patents

210.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 143.2
[M+Na]+ 233.07842 152.5
[M-H]- 209.08192 145.2
[M+NH4]+ 228.12302 161.6
[M+K]+ 249.05236 150.6
[M+H-H2O]+ 193.08646 138.2
[M+HCOO]- 255.08740 164.1
[M+CH3COO]- 269.10305 184.6
[M+Na-2H]- 231.06387 145.4
[M]+ 210.08865 146.0
[M]- 210.08975 146.0
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