CID 16205252

71648-35-6

Structural Information

Molecular Formula
C18H32O2
SMILES
CCCCCCCC(=O)OC(C)(C)C1CCC(=CC1)C
InChI
InChI=1S/C18H32O2/c1-5-6-7-8-9-10-17(19)20-18(3,4)16-13-11-15(2)12-14-16/h11,16H,5-10,12-14H2,1-4H3
InChIKey
UPGAHZUAKBEVCT-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.24023 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.247506 173.2
[M+Na]+ 303.229448 176.2
[M-H]- 279.232954 175.2
[M+NH4]+ 298.274053 189.4
[M+K]+ 319.203388 173.9
[M+H-H2O]+ 263.237490 166.8
[M+HCOO]- 325.238431 190.0
[M+CH3COO]- 339.254081 204.0
[M+Na-2H]- 301.214896 173.5
[M]+ 280.23968142 175.0
[M]- 280.24077858 175.0
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.