CID 206760

Propanoic acid, 2-(4-(1-methylcyclopentyl)-1-cyclohexen-1-yl)-

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(C1=CCC(CC1)C2(CCCC2)C)C(=O)O
InChI
InChI=1S/C15H24O2/c1-11(14(16)17)12-5-7-13(8-6-12)15(2)9-3-4-10-15/h5,11,13H,3-4,6-10H2,1-2H3,(H,16,17)
InChIKey
KYEAFFQTYWXOME-UHFFFAOYSA-N
Compound name
2-[4-(1-methylcyclopentyl)cyclohexen-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 159.3
[M+Na]+ 259.16685 162.4
[M-H]- 235.17035 163.5
[M+NH4]+ 254.21145 179.5
[M+K]+ 275.14079 160.0
[M+H-H2O]+ 219.17489 153.8
[M+HCOO]- 281.17583 175.4
[M+CH3COO]- 295.19148 189.4
[M+Na-2H]- 257.15230 157.9
[M]+ 236.17708 153.4
[M]- 236.17818 153.4
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.