CID 6434238

Ammonium, dodecyldimethyl(3-hydroxypropenyl)-, 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 173.0
[M+Na]+ 293.26892 175.7
[M-H]- 269.27242 171.9
[M+NH4]+ 288.31352 189.6
[M+K]+ 309.24286 167.1
[M+H-H2O]+ 253.27696 169.8
[M+HCOO]- 315.27790 192.7
[M+CH3COO]- 329.29355 199.4
[M+Na-2H]- 291.25437 177.6
[M]+ 270.27915 176.2
[M]- 270.28025 176.2
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.