CID 52915817

2-(4-tert-butyl-2,6-dimethylphenyl)acetic acid

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1=CC(=CC(=C1CC(=O)O)C)C(C)(C)C
InChI
InChI=1S/C14H20O2/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H,15,16)
InChIKey
FEGJTNSSKIPCOF-UHFFFAOYSA-N
Compound name
2-(4-tert-butyl-2,6-dimethylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

220.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 149.9
[M+Na]+ 243.135548 158.1
[M-H]- 219.139054 152.8
[M+NH4]+ 238.180153 168.7
[M+K]+ 259.109488 155.7
[M+H-H2O]+ 203.143590 145.1
[M+HCOO]- 265.144531 169.4
[M+CH3COO]- 279.160181 191.0
[M+Na-2H]- 241.120996 152.6
[M]+ 220.14578142 152.0
[M]- 220.14687858 152.0
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