CID 110199

1-propoxydodecane

Structural Information

Molecular Formula
C15H32O
SMILES
CCCCCCCCCCCCOCCC
InChI
InChI=1S/C15H32O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h3-15H2,1-2H3
InChIKey
SOOBJWBRPWEOMW-UHFFFAOYSA-N
Compound name
1-propoxydodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

769
Patents

228.24532 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.252596 163.1
[M+Na]+ 251.234538 166.6
[M-H]- 227.238044 161.7
[M+NH4]+ 246.279143 181.6
[M+K]+ 267.208478 164.6
[M+H-H2O]+ 211.242580 157.0
[M+HCOO]- 273.243521 184.2
[M+CH3COO]- 287.259171 196.5
[M+Na-2H]- 249.219986 165.4
[M]+ 228.24477142 169.4
[M]- 228.24586858 169.4
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

patents stripe