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]+ 247.169266 161.0
[M+Na]+ 269.151208 166.8
[M-H]- 245.154714 166.6
[M+NH4]+ 264.195813 175.3
[M+K]+ 285.125148 167.2
[M+H-H2O]+ 229.159250 151.8
[M+HCOO]- 291.160191 178.6
[M+CH3COO]- 305.175841 197.4
[M+Na-2H]- 267.136656 162.8
[M]+ 246.16144142 169.7
[M]- 246.16253858 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.