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
2
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]+ 251.200556 163.1
[M+Na]+ 273.182498 166.3
[M-H]- 249.186004 165.3
[M+NH4]+ 268.227103 180.2
[M+K]+ 289.156438 164.4
[M+H-H2O]+ 233.190540 156.8
[M+HCOO]- 295.191481 180.3
[M+CH3COO]- 309.207131 198.5
[M+Na-2H]- 271.167946 161.3
[M]+ 250.19273142 162.6
[M]- 250.19382858 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.