CID 106816

67801-24-5

Structural Information

Molecular Formula
C15H26O2
SMILES
CCC(=C)C(=O)OC1CC(CCC1C(C)C)C
InChI
InChI=1S/C15H26O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h10-11,13-14H,5-9H2,1-4H3
InChIKey
JOORVZPXBJMPEI-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylcyclohexyl) 2-methylidenebutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 158.8
[M+Na]+ 261.18250 162.4
[M-H]- 237.18600 161.3
[M+NH4]+ 256.22710 176.7
[M+K]+ 277.15644 161.1
[M+H-H2O]+ 221.19054 153.2
[M+HCOO]- 283.19148 174.9
[M+CH3COO]- 297.20713 197.1
[M+Na-2H]- 259.16795 156.0
[M]+ 238.19273 157.0
[M]- 238.19383 157.0
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.