CID 6434238

Dodecyl(3-hydroxyprop-1-en-1-yl)dimethylazanium chloride

Structural Information

Molecular Formula
C17H36NO
SMILES
CCCCCCCCCCCC[N+](C)(C)/C=C/CO
InChI
InChI=1S/C17H36NO/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-19/h14,16,19H,4-13,15,17H2,1-3H3/q+1/b16-14+
InChIKey
ODYPQJLEIQQSDS-JQIJEIRASA-N
Compound name
dodecyl-[(E)-3-hydroxyprop-1-enyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.2797 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.28698 171.2
[M+Na]+ 293.26892 180.9
[M+NH4]+ 288.31352 178.6
[M+K]+ 309.24286 173.6
[M-H]- 269.27242 172.2
[M+Na-2H]- 291.25437 173.8
[M]+ 270.27915 173.1
[M]- 270.28025 173.1
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.