CID 8167192

93748-14-2

Structural Information

Molecular Formula
C14H20O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C)(C)C(=O)O
InChI
InChI=1S/C14H20O2/c1-13(2,3)10-6-8-11(9-7-10)14(4,5)12(15)16/h6-9H,1-5H3,(H,15,16)
InChIKey
OHAKGGAAZZPXLJ-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

220.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 150.5
[M+Na]+ 243.135548 157.3
[M-H]- 219.139054 153.0
[M+NH4]+ 238.180153 168.8
[M+K]+ 259.109488 155.3
[M+H-H2O]+ 203.143590 145.9
[M+HCOO]- 265.144531 168.5
[M+CH3COO]- 279.160181 189.1
[M+Na-2H]- 241.120996 155.5
[M]+ 220.14578142 151.3
[M]- 220.14687858 151.3
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