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 151.9
[M+Na]+ 241.11990 156.6
[M-H]- 217.12340 157.0
[M+NH4]+ 236.16450 164.9
[M+K]+ 257.09384 157.3
[M+H-H2O]+ 201.12794 141.4
[M+HCOO]- 263.12888 170.1
[M+CH3COO]- 277.14453 190.7
[M+Na-2H]- 239.10535 154.3
[M]+ 218.13013 159.0
[M]- 218.13123 159.0
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

No patent data available for this compound.