CID 5141544

4-(2,4-dimethylphenyl)-2,2,3-trimethylcyclopentanecarboxylic acid

Structural Information

Molecular Formula
C17H24O2
SMILES
CC1C(CC(C1(C)C)C(=O)O)C2=C(C=C(C=C2)C)C
InChI
InChI=1S/C17H24O2/c1-10-6-7-13(11(2)8-10)14-9-15(16(18)19)17(4,5)12(14)3/h6-8,12,14-15H,9H2,1-5H3,(H,18,19)
InChIKey
JNEDDFJAXUWAMQ-UHFFFAOYSA-N
Compound name
4-(2,4-dimethylphenyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.17764 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 159.5
[M+Na]+ 283.16686 167.9
[M-H]- 259.17036 165.7
[M+NH4]+ 278.21146 180.4
[M+K]+ 299.14080 164.3
[M+H-H2O]+ 243.17490 154.9
[M+HCOO]- 305.17584 179.0
[M+CH3COO]- 319.19149 198.6
[M+Na-2H]- 281.15231 158.1
[M]+ 260.17709 159.7
[M]- 260.17819 159.7
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.