CID 65000304

1537484-83-5

Structural Information

Molecular Formula
C16H22O2
SMILES
CC(C)C1=CC=C(C=C1)C2(CC(C2)(C)C)C(=O)O
InChI
InChI=1S/C16H22O2/c1-11(2)12-5-7-13(8-6-12)16(14(17)18)9-15(3,4)10-16/h5-8,11H,9-10H2,1-4H3,(H,17,18)
InChIKey
RBQKQRXODLTCAQ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16927 159.6
[M+Na]+ 269.15121 166.5
[M+NH4]+ 264.19581 166.0
[M+K]+ 285.12515 159.2
[M-H]- 245.15471 159.4
[M+Na-2H]- 267.13666 165.3
[M]+ 246.16144 159.6
[M]- 246.16254 159.6
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.