CID 16770244

1-(4-tert-butylphenyl)cyclobutane-1-carboxylic acid

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

10
Patents

232.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 155.3
[M+Na]+ 255.13555 160.5
[M-H]- 231.13905 160.6
[M+NH4]+ 250.18015 168.2
[M+K]+ 271.10949 160.9
[M+H-H2O]+ 215.14359 145.4
[M+HCOO]- 277.14453 172.8
[M+CH3COO]- 291.16018 192.4
[M+Na-2H]- 253.12100 159.3
[M]+ 232.14578 163.0
[M]- 232.14688 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