CID 51588

Brn 2459267

Structural Information

Molecular Formula
C14H20O3
SMILES
CC1=CC(=C(C(=C1C)OCCCC(=O)O)C)C
InChI
InChI=1S/C14H20O3/c1-9-8-10(2)12(4)14(11(9)3)17-7-5-6-13(15)16/h8H,5-7H2,1-4H3,(H,15,16)
InChIKey
VBSMNMBGLBSZMW-UHFFFAOYSA-N
Compound name
4-(2,3,5,6-tetramethylphenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.14125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 153.0
[M+Na]+ 259.13047 161.5
[M-H]- 235.13397 155.9
[M+NH4]+ 254.17507 171.1
[M+K]+ 275.10441 159.2
[M+H-H2O]+ 219.13851 147.5
[M+HCOO]- 281.13945 174.3
[M+CH3COO]- 295.15510 194.6
[M+Na-2H]- 257.11592 154.2
[M]+ 236.14070 157.5
[M]- 236.14180 157.5
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

No patent data available for this compound.