CID 109409

68479-99-2

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(CCC1C(=C)CCCC1(C)C)OC(=O)C
InChI
InChI=1S/C15H26O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h12,14H,1,6-10H2,2-5H3
InChIKey
GGSLLFSSNHTPMO-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 159.7
[M+Na]+ 261.18250 169.1
[M+NH4]+ 256.22710 168.4
[M+K]+ 277.15644 161.4
[M-H]- 237.18600 160.6
[M+Na-2H]- 259.16795 163.6
[M]+ 238.19273 161.2
[M]- 238.19383 161.2
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.