CID 6437267

2-isopropyl-5-methylcyclohexyl 2-methylbut-2-enoate

Structural Information

Molecular Formula
C15H26O2
SMILES
C/C=C(\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/h6,10-11,13-14H,7-9H2,1-5H3/b12-6+
InChIKey
HCXHHVYXOBMFPA-WUXMJOGZSA-N
Compound name
(5-methyl-2-propan-2-ylcyclohexyl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

238.19328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 159.0
[M+Na]+ 261.18250 162.7
[M-H]- 237.18600 161.5
[M+NH4]+ 256.22710 177.0
[M+K]+ 277.15644 161.4
[M+H-H2O]+ 221.19054 153.4
[M+HCOO]- 283.19148 175.1
[M+CH3COO]- 297.20713 196.5
[M+Na-2H]- 259.16795 156.2
[M]+ 238.19273 157.1
[M]- 238.19383 157.1
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

patents stripe