CID 6450382

(z)-7-hexadecenal diethyl acetal

Structural Information

Molecular Formula
C20H40O2
SMILES
CCCCCCCC/C=C/CCCCCC(OCC)OCC
InChI
InChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h13-14,20H,4-12,15-19H2,1-3H3/b14-13+
InChIKey
VOJBKJKGAHHPBF-BUHFOSPRSA-N
Compound name
(E)-1,1-diethoxyhexadec-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.30283 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.31011 188.2
[M+Na]+ 335.29205 189.7
[M-H]- 311.29555 185.9
[M+NH4]+ 330.33665 203.1
[M+K]+ 351.26599 186.6
[M+H-H2O]+ 295.30009 181.0
[M+HCOO]- 357.30103 207.1
[M+CH3COO]- 371.31668 212.4
[M+Na-2H]- 333.27750 186.5
[M]+ 312.30228 196.3
[M]- 312.30338 196.3
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

No patent data available for this compound.