CID 6434547

3-hydroxy-3-methyl-6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-hexenoic acid

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1=CCC(C1(C)C)C/C=C/C(C)(CC(=O)O)O
InChI
InChI=1S/C15H24O3/c1-11-7-8-12(14(11,2)3)6-5-9-15(4,18)10-13(16)17/h5,7,9,12,18H,6,8,10H2,1-4H3,(H,16,17)/b9-5+
InChIKey
LSUJMVYCHNMGGB-WEVVVXLNSA-N
Compound name
(E)-3-hydroxy-3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 161.4
[M+Na]+ 275.16177 168.9
[M+NH4]+ 270.20637 168.3
[M+K]+ 291.13571 164.8
[M-H]- 251.16527 159.5
[M+Na-2H]- 273.14722 163.8
[M]+ 252.17200 161.7
[M]- 252.17310 161.7
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.