CID 20345905

55699-12-2

Structural Information

Molecular Formula
C14H20O3
SMILES
CC1=CC(=C(C(=C1CC(=O)O)C)O)C(C)(C)C
InChI
InChI=1S/C14H20O3/c1-8-6-11(14(3,4)5)13(17)9(2)10(8)7-12(15)16/h6,17H,7H2,1-5H3,(H,15,16)
InChIKey
SZKABAZTVCKJNT-UHFFFAOYSA-N
Compound name
2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

236.14125 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 153.1
[M+Na]+ 259.13047 161.7
[M-H]- 235.13397 155.0
[M+NH4]+ 254.17507 170.7
[M+K]+ 275.10441 159.0
[M+H-H2O]+ 219.13851 148.6
[M+HCOO]- 281.13945 171.3
[M+CH3COO]- 295.15510 191.9
[M+Na-2H]- 257.11592 154.7
[M]+ 236.14070 155.2
[M]- 236.14180 155.2
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