CID 175298

72928-25-7

Structural Information

Molecular Formula
C16H26O2
SMILES
CCC(C)C(=O)OCCC(=C)C1CCC(=CC1)C
InChI
InChI=1S/C16H26O2/c1-5-13(3)16(17)18-11-10-14(4)15-8-6-12(2)7-9-15/h6,13,15H,4-5,7-11H2,1-3H3
InChIKey
BJWDLKYOQKQDLM-UHFFFAOYSA-N
Compound name
3-(4-methylcyclohex-3-en-1-yl)but-3-enyl 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 163.1
[M+Na]+ 273.18250 166.3
[M-H]- 249.18600 165.3
[M+NH4]+ 268.22710 180.2
[M+K]+ 289.15644 164.4
[M+H-H2O]+ 233.19054 156.8
[M+HCOO]- 295.19148 180.3
[M+CH3COO]- 309.20713 198.5
[M+Na-2H]- 271.16795 161.3
[M]+ 250.19273 162.6
[M]- 250.19383 162.6
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.