CID 16770244

926247-18-9

Structural Information

Molecular Formula
C15H20O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2(CCC2)C(=O)O
InChI
InChI=1S/C15H20O2/c1-14(2,3)11-5-7-12(8-6-11)15(13(16)17)9-4-10-15/h5-8H,4,9-10H2,1-3H3,(H,16,17)
InChIKey
FNPWYYZPIAIQJD-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

232.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 155.3
[M+Na]+ 255.135548 160.5
[M-H]- 231.139054 160.6
[M+NH4]+ 250.180153 168.2
[M+K]+ 271.109488 160.9
[M+H-H2O]+ 215.143590 145.4
[M+HCOO]- 277.144531 172.8
[M+CH3COO]- 291.160181 192.4
[M+Na-2H]- 253.120996 159.3
[M]+ 232.14578142 163.0
[M]- 232.14687858 163.0
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