CID 119024

4-hydroxy-2,3,6-trimethylphenyl acetate

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1=CC(=C(C(=C1OC(=O)C)C)C)O
InChI
InChI=1S/C11H14O3/c1-6-5-10(13)7(2)8(3)11(6)14-9(4)12/h5,13H,1-4H3
InChIKey
JFNARRJEBQBMJF-UHFFFAOYSA-N
Compound name
(4-hydroxy-2,3,6-trimethylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

194.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 139.0
[M+Na]+ 217.083518 148.9
[M-H]- 193.087024 142.5
[M+NH4]+ 212.128123 159.0
[M+K]+ 233.057458 147.3
[M+H-H2O]+ 177.091560 134.1
[M+HCOO]- 239.092501 161.3
[M+CH3COO]- 253.108151 184.9
[M+Na-2H]- 215.068966 141.9
[M]+ 194.09375142 142.3
[M]- 194.09484858 142.3
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