CID 2733294

Trans-2-hexenyl acetate

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC/C=C/COC(=O)C
InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKey
HRHOWZHRCRZVCU-AATRIKPKSA-N
Compound name
[(E)-hex-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

3505
Patents

142.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.2
[M+Na]+ 165.08860 142.2
[M+NH4]+ 160.13320 139.5
[M+K]+ 181.06254 136.4
[M-H]- 141.09210 131.0
[M+Na-2H]- 163.07405 135.3
[M]+ 142.09883 133.0
[M]- 142.09993 133.0
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