CID 5352834

(4z)-4-hexenyl acetate

Structural Information

Molecular Formula
C8H14O2
SMILES
C/C=C\CCCOC(=O)C
InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h3-4H,5-7H2,1-2H3/b4-3-
InChIKey
SXIMDPDAXHQFFD-ARJAWSKDSA-N
Compound name
[(Z)-hex-4-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.5
[M+Na]+ 165.08860 138.5
[M-H]- 141.09210 131.7
[M+NH4]+ 160.13320 153.4
[M+K]+ 181.06254 138.0
[M+H-H2O]+ 125.09664 127.0
[M+HCOO]- 187.09758 154.7
[M+CH3COO]- 201.11323 174.9
[M+Na-2H]- 163.07405 136.5
[M]+ 142.09883 134.3
[M]- 142.09993 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