CID 21156120

74499-51-7

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(CCCC(=C)C)CCOC(=O)CC(=C)C
InChI
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h14H,1,3,6-11H2,2,4-5H3
InChIKey
CLYWMRJUCOOPJJ-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-7-enyl 3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 162.3
[M+Na]+ 261.182498 166.0
[M-H]- 237.186004 161.5
[M+NH4]+ 256.227103 180.0
[M+K]+ 277.156438 164.4
[M+H-H2O]+ 221.190540 156.8
[M+HCOO]- 283.191481 180.4
[M+CH3COO]- 297.207131 198.3
[M+Na-2H]- 259.167946 159.8
[M]+ 238.19273142 165.2
[M]- 238.19382858 165.2
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.