CID 12106258

(z)-1-(allyloxy)hex-3-ene

Structural Information

Molecular Formula
C9H16O
SMILES
CC/C=C\CCOCC=C
InChI
InChI=1S/C9H16O/c1-3-5-6-7-9-10-8-4-2/h4-6H,2-3,7-9H2,1H3/b6-5-
InChIKey
URXKWFQRCJODEE-WAYWQWQTSA-N
Compound name
(Z)-1-prop-2-enoxyhex-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

140.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 132.4
[M+Na]+ 163.109338 139.1
[M-H]- 139.112844 132.3
[M+NH4]+ 158.153943 154.3
[M+K]+ 179.083278 137.5
[M+H-H2O]+ 123.117380 127.8
[M+HCOO]- 185.118321 155.9
[M+CH3COO]- 199.133971 175.9
[M+Na-2H]- 161.094786 138.1
[M]+ 140.11957142 134.9
[M]- 140.12066858 134.9
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

patents stripe