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]+ 273.24242 173.6
[M+Na]+ 295.22436 176.5
[M-H]- 271.22786 172.2
[M+NH4]+ 290.26896 190.0
[M+K]+ 311.19830 175.4
[M+H-H2O]+ 255.23240 167.1
[M+HCOO]- 317.23334 193.0
[M+CH3COO]- 331.24899 203.2
[M+Na-2H]- 293.20981 172.8
[M]+ 272.23459 181.0
[M]- 272.23569 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.