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
2
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]+ 217.179826 154.6
[M+Na]+ 239.161768 159.4
[M-H]- 215.165274 153.9
[M+NH4]+ 234.206373 173.4
[M+K]+ 255.135708 158.9
[M+H-H2O]+ 199.169810 148.8
[M+HCOO]- 261.170751 176.4
[M+CH3COO]- 275.186401 190.5
[M+Na-2H]- 237.147216 157.2
[M]+ 216.17200142 161.1
[M]- 216.17309858 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.