CID 21149751

93894-19-0

Structural Information

Molecular Formula
C19H40NO2
SMILES
CCCCCCCCCCCC[N+](CCO)(CCO)CC=C
InChI
InChI=1S/C19H40NO2/c1-3-5-6-7-8-9-10-11-12-13-15-20(14-4-2,16-18-21)17-19-22/h4,21-22H,2-3,5-19H2,1H3/q+1
InChIKey
YUOPZRATDZGBHH-UHFFFAOYSA-N
Compound name
dodecyl-bis(2-hydroxyethyl)-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.3059 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.313176 185.1
[M+Na]+ 337.295118 186.3
[M-H]- 313.298624 182.0
[M+NH4]+ 332.339723 198.9
[M+K]+ 353.269058 176.7
[M+H-H2O]+ 297.303160 181.4
[M+HCOO]- 359.304101 202.8
[M+CH3COO]- 373.319751 205.2
[M+Na-2H]- 335.280566 188.3
[M]+ 314.30535142 188.5
[M]- 314.30644858 188.5
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