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]+ 239.200556 158.8
[M+Na]+ 261.182498 162.4
[M-H]- 237.186004 161.3
[M+NH4]+ 256.227103 176.7
[M+K]+ 277.156438 161.1
[M+H-H2O]+ 221.190540 153.2
[M+HCOO]- 283.191481 174.9
[M+CH3COO]- 297.207131 197.1
[M+Na-2H]- 259.167946 156.0
[M]+ 238.19273142 157.0
[M]- 238.19382858 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.