CID 3022506

4-cyclopentyl-2-methylcyclohexyl acetate

Structural Information

Molecular Formula
C14H24O2
SMILES
CC1CC(CCC1OC(=O)C)C2CCCC2
InChI
InChI=1S/C14H24O2/c1-10-9-13(12-5-3-4-6-12)7-8-14(10)16-11(2)15/h10,12-14H,3-9H2,1-2H3
InChIKey
BGTRRNMHLKTFAQ-UHFFFAOYSA-N
Compound name
(4-cyclopentyl-2-methylcyclohexyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 155.8
[M+Na]+ 247.166848 159.1
[M-H]- 223.170354 161.2
[M+NH4]+ 242.211453 175.6
[M+K]+ 263.140788 157.3
[M+H-H2O]+ 207.174890 149.6
[M+HCOO]- 269.175831 173.3
[M+CH3COO]- 283.191481 189.5
[M+Na-2H]- 245.152296 153.8
[M]+ 224.17708142 150.7
[M]- 224.17817858 150.7
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.