CID 5364291

(z)-1,1-diethoxyhex-3-ene

Structural Information

Molecular Formula
C10H20O2
SMILES
CC/C=C\CC(OCC)OCC
InChI
InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7-
InChIKey
IOBHVJHSBREPFR-FPLPWBNLSA-N
Compound name
(Z)-1,1-diethoxyhex-3-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

186
Patents

172.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 142.4
[M+Na]+ 195.135548 148.2
[M-H]- 171.139054 142.1
[M+NH4]+ 190.180153 163.0
[M+K]+ 211.109488 147.7
[M+H-H2O]+ 155.143590 137.3
[M+HCOO]- 217.144531 164.7
[M+CH3COO]- 231.160181 182.5
[M+Na-2H]- 193.120996 146.2
[M]+ 172.14578142 146.8
[M]- 172.14687858 146.8
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