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

10
Patents

238.19328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 159.0
[M+Na]+ 261.182498 162.7
[M-H]- 237.186004 161.5
[M+NH4]+ 256.227103 177.0
[M+K]+ 277.156438 161.4
[M+H-H2O]+ 221.190540 153.4
[M+HCOO]- 283.191481 175.1
[M+CH3COO]- 297.207131 196.5
[M+Na-2H]- 259.167946 156.2
[M]+ 238.19273142 157.1
[M]- 238.19382858 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