CID 256426

4,4-diethoxybut-1-ene

Structural Information

Molecular Formula
C8H16O2
SMILES
CCOC(CC=C)OCC
InChI
InChI=1S/C8H16O2/c1-4-7-8(9-5-2)10-6-3/h4,8H,1,5-7H2,2-3H3
InChIKey
PRCYIYOCMALJCX-UHFFFAOYSA-N
Compound name
4,4-diethoxybut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
Patents

144.11504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 132.8
[M+Na]+ 167.104258 139.3
[M-H]- 143.107764 132.9
[M+NH4]+ 162.148863 154.5
[M+K]+ 183.078198 139.5
[M+H-H2O]+ 127.112300 128.1
[M+HCOO]- 189.113241 155.7
[M+CH3COO]- 203.128891 177.2
[M+Na-2H]- 165.089706 137.7
[M]+ 144.11449142 136.5
[M]- 144.11558858 136.5
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