CID 5366352

Acetaldehyde ethyl cis-3-hexenyl acetal

Structural Information

Molecular Formula
C10H20O2
SMILES
CC/C=C\CCOC(C)OCC
InChI
InChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
InChIKey
PAEBAEDUARAOSG-SREVYHEPSA-N
Compound name
(Z)-1-(1-ethoxyethoxy)hex-3-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

631
Patents

172.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 141.5
[M+Na]+ 195.13555 151.1
[M+NH4]+ 190.18015 148.7
[M+K]+ 211.10949 144.9
[M-H]- 171.13905 140.5
[M+Na-2H]- 193.12100 144.2
[M]+ 172.14578 142.3
[M]- 172.14688 142.3
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