CID 6441665

50876-88-5

Structural Information

Molecular Formula
C12H24O3
SMILES
CC/C=C\CCOCC(OCC)OCC
InChI
InChI=1S/C12H24O3/c1-4-7-8-9-10-13-11-12(14-5-2)15-6-3/h7-8,12H,4-6,9-11H2,1-3H3/b8-7-
InChIKey
SXFMZKKBIUYSHF-FPLPWBNLSA-N
Compound name
(Z)-1-(2,2-diethoxyethoxy)hex-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.17255 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.17983 154.6
[M+Na]+ 239.16177 159.4
[M-H]- 215.16527 153.9
[M+NH4]+ 234.20637 173.4
[M+K]+ 255.13571 158.9
[M+H-H2O]+ 199.16981 148.8
[M+HCOO]- 261.17075 176.4
[M+CH3COO]- 275.18640 190.5
[M+Na-2H]- 237.14722 157.2
[M]+ 216.17200 161.1
[M]- 216.17310 161.1
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

No patent data available for this compound.