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
6
Annotation Hits

13
References

3478
Patents

142.09938 Da
Monoisotopic Mass

2.0
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