CID 5363388

Cis-3-hexenyl acetate

Structural Information

Molecular Formula
C8H14O2
SMILES
CC/C=C\CCOC(=O)C
InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey
NPFVOOAXDOBMCE-PLNGDYQASA-N
Compound name
[(Z)-hex-3-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

147
References

10734
Patents

142.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.5
[M+Na]+ 165.088598 138.5
[M-H]- 141.092104 131.7
[M+NH4]+ 160.133203 153.4
[M+K]+ 181.062538 138.0
[M+H-H2O]+ 125.096640 127.0
[M+HCOO]- 187.097581 154.7
[M+CH3COO]- 201.113231 174.9
[M+Na-2H]- 163.074046 136.5
[M]+ 142.09883142 134.3
[M]- 142.09992858 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe