CID 204882

1,3-propanediol, 2-(n-ethyl-n-tetradecylamino)-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C20H43NO2
SMILES
CCCCCCCCCCCCCCN(CC)C(C)(CO)CO
InChI
InChI=1S/C20H43NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21(5-2)20(3,18-22)19-23/h22-23H,4-19H2,1-3H3
InChIKey
IDRJLCDTCKAKHQ-UHFFFAOYSA-N
Compound name
2-[ethyl(tetradecyl)amino]-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.32938 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.33666 193.3
[M+Na]+ 352.31860 193.5
[M-H]- 328.32210 189.8
[M+NH4]+ 347.36320 206.6
[M+K]+ 368.29254 190.6
[M+H-H2O]+ 312.32664 186.4
[M+HCOO]- 374.32758 209.9
[M+CH3COO]- 388.34323 216.6
[M+Na-2H]- 350.30405 192.2
[M]+ 329.32883 198.9
[M]- 329.32993 198.9
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