CID 101413630

4-hexen-1-ol, 3-ethenyl-5-methyl-2-methylene-, 1-acetate

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(=CC(C=C)C(=C)COC(=O)C)C
InChI
InChI=1S/C12H18O2/c1-6-12(7-9(2)3)10(4)8-14-11(5)13/h6-7,12H,1,4,8H2,2-3,5H3
InChIKey
OMXMXPLKVRQEIQ-UHFFFAOYSA-N
Compound name
(3-ethenyl-5-methyl-2-methylidenehex-4-enyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 146.4
[M+Na]+ 217.11990 151.7
[M-H]- 193.12340 146.3
[M+NH4]+ 212.16450 165.9
[M+K]+ 233.09384 150.3
[M+H-H2O]+ 177.12794 141.6
[M+HCOO]- 239.12888 165.7
[M+CH3COO]- 253.14453 187.7
[M+Na-2H]- 215.10535 145.6
[M]+ 194.13013 147.4
[M]- 194.13123 147.4
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.