CID 6450413

1,1,3-triethoxy-4-decene

Structural Information

Molecular Formula
C16H32O3
SMILES
CCCCC/C=C/[C@@H](CC(OCC)OCC)OCC
InChI
InChI=1S/C16H32O3/c1-5-9-10-11-12-13-15(17-6-2)14-16(18-7-3)19-8-4/h12-13,15-16H,5-11,14H2,1-4H3/b13-12+/t15-/m0/s1
InChIKey
RCATYCKUCAVYNI-LHNRBYRGSA-N
Compound name
(E,3R)-1,1,3-triethoxydec-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.23514 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.242416 173.6
[M+Na]+ 295.224358 176.5
[M-H]- 271.227864 172.2
[M+NH4]+ 290.268963 190.0
[M+K]+ 311.198298 175.4
[M+H-H2O]+ 255.232400 167.1
[M+HCOO]- 317.233341 193.0
[M+CH3COO]- 331.248991 203.2
[M+Na-2H]- 293.209806 172.8
[M]+ 272.23459142 181.0
[M]- 272.23568858 181.0
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.