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

1
Patents

236.17763 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 159.3
[M+Na]+ 259.166848 162.4
[M-H]- 235.170354 163.5
[M+NH4]+ 254.211453 179.5
[M+K]+ 275.140788 160.0
[M+H-H2O]+ 219.174890 153.8
[M+HCOO]- 281.175831 175.4
[M+CH3COO]- 295.191481 189.4
[M+Na-2H]- 257.152296 157.9
[M]+ 236.17708142 153.4
[M]- 236.17817858 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

patents stripe