CID 5282309

119567-63-4

Structural Information

Molecular Formula
C20H41NO2
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N(C)C)O
InChI
InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1
InChIKey
YRXOQXUDKDCXME-YIVRLKKSSA-N
Compound name
(E,2S,3R)-2-(dimethylamino)octadec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

175
References

740
Patents

327.31372 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.320996 193.7
[M+Na]+ 350.302938 193.4
[M-H]- 326.306444 190.1
[M+NH4]+ 345.347543 206.8
[M+K]+ 366.276878 190.4
[M+H-H2O]+ 310.310980 186.4
[M+HCOO]- 372.311921 210.0
[M+CH3COO]- 386.327571 216.3
[M+Na-2H]- 348.288386 189.1
[M]+ 327.31317142 197.6
[M]- 327.31426858 197.6
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