CID 109409

Einecs 270-879-5

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 157.5
[M+Na]+ 261.18250 162.2
[M-H]- 237.18600 160.2
[M+NH4]+ 256.22710 177.4
[M+K]+ 277.15644 160.7
[M+H-H2O]+ 221.19054 152.7
[M+HCOO]- 283.19148 174.6
[M+CH3COO]- 297.20713 195.8
[M+Na-2H]- 259.16795 157.2
[M]+ 238.19273 156.5
[M]- 238.19383 156.5
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.