CID 16769673

1-[4-(propan-2-yl)phenyl]cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C14H18O2
SMILES
CC(C)C1=CC=C(C=C1)C2(CCC2)C(=O)O
InChI
InChI=1S/C14H18O2/c1-10(2)11-4-6-12(7-5-11)14(13(15)16)8-3-9-14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKey
JAHNYTPOYIGJRH-UHFFFAOYSA-N
Compound name
1-(4-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 151.4
[M+Na]+ 241.11990 158.3
[M+NH4]+ 236.16450 156.8
[M+K]+ 257.09384 152.8
[M-H]- 217.12340 151.3
[M+Na-2H]- 239.10535 156.3
[M]+ 218.13013 151.2
[M]- 218.13123 151.2
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.