CID 121015983

3-ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate

Structural Information

Molecular Formula
C12H20O3
SMILES
CC(=C)C(C(C=C)C(C)(C)OC(=O)C)O
InChI
InChI=1S/C12H20O3/c1-7-10(11(14)8(2)3)12(5,6)15-9(4)13/h7,10-11,14H,1-2H2,3-6H3
InChIKey
NONPMXXPXAQDJV-UHFFFAOYSA-N
Compound name
(3-ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.14125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 151.4
[M+Na]+ 235.13047 158.3
[M+NH4]+ 230.17507 156.2
[M+K]+ 251.10441 156.1
[M-H]- 211.13397 147.4
[M+Na-2H]- 233.11592 151.1
[M]+ 212.14070 150.8
[M]- 212.14180 150.8
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.