CID 89236

N-(2-hydroxyhexadecyl)diethanolamine

Structural Information

Molecular Formula
C20H43NO3
SMILES
CCCCCCCCCCCCCCC(CN(CCO)CCO)O
InChI
InChI=1S/C20H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-21(15-17-22)16-18-23/h20,22-24H,2-19H2,1H3
InChIKey
GGHQVHKMWVITSI-UHFFFAOYSA-N
Compound name
1-[bis(2-hydroxyethyl)amino]hexadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

345.32428 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.33156 196.6
[M+Na]+ 368.31350 195.5
[M-H]- 344.31700 191.2
[M+NH4]+ 363.35810 208.1
[M+K]+ 384.28744 192.3
[M+H-H2O]+ 328.32154 188.9
[M+HCOO]- 390.32248 212.4
[M+CH3COO]- 404.33813 216.3
[M+Na-2H]- 366.29895 192.8
[M]+ 345.32373 201.4
[M]- 345.32483 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe