CID 139016

Propionic acid, 3-dodecyloxy-

Structural Information

Molecular Formula
C16H32O3
SMILES
CCCCCCCCCCCCOCCC(=O)OC
InChI
InChI=1S/C16H32O3/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-16(17)18-2/h3-15H2,1-2H3
InChIKey
JUIVFMOIMLGWRP-UHFFFAOYSA-N
Compound name
methyl 3-dodecoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.23514 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.242416 172.9
[M+Na]+ 295.224358 176.1
[M-H]- 271.227864 171.4
[M+NH4]+ 290.268963 189.4
[M+K]+ 311.198298 174.6
[M+H-H2O]+ 255.232400 166.3
[M+HCOO]- 317.233341 193.4
[M+CH3COO]- 331.248991 202.4
[M+Na-2H]- 293.209806 173.4
[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.