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 161.0
[M+Na]+ 269.15121 166.8
[M-H]- 245.15471 166.6
[M+NH4]+ 264.19581 175.3
[M+K]+ 285.12515 167.2
[M+H-H2O]+ 229.15925 151.8
[M+HCOO]- 291.16019 178.6
[M+CH3COO]- 305.17584 197.4
[M+Na-2H]- 267.13666 162.8
[M]+ 246.16144 169.7
[M]- 246.16254 169.7
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.