CID 23428154

4,6,8,10,12,14-hexamethoxy-l-nonadecene

Structural Information

Molecular Formula
C25H50O6
SMILES
CCCCC[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CC=C)OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C25H50O6/c1-9-11-12-14-21(27-4)16-23(29-6)18-25(31-8)19-24(30-7)17-22(28-5)15-20(26-3)13-10-2/h10,20-25H,2,9,11-19H2,1,3-8H3/t20-,21+,22-,23+,24-,25+/m0/s1
InChIKey
BBORWCLFCSBHRL-CQALGVAQSA-N
Compound name
(4S,6S,8S,10R,12R,14R)-4,6,8,10,12,14-hexamethoxynonadec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.36075 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.36803 221.5
[M+Na]+ 469.34997 229.3
[M-H]- 445.35347 216.2
[M+NH4]+ 464.39457 231.2
[M+K]+ 485.32391 228.4
[M+H-H2O]+ 429.35801 226.0
[M+HCOO]- 491.35895 221.4
[M+CH3COO]- 505.37460 238.8
[M+Na-2H]- 467.33542 211.8
[M]+ 446.36020 223.8
[M]- 446.36130 223.8
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.