CID 20838731

106-16-1

Structural Information

Molecular Formula
C20H39NO3
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCO)O
InChI
InChI=1S/C20H39NO3/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20(24)21-17-18-22/h9,12,19,22-23H,2-8,10-11,13-18H2,1H3,(H,21,24)/b12-9-/t19-/m1/s1
InChIKey
JYDIHAYTECQGQK-UZRURVBFSA-N
Compound name
(Z,12R)-12-hydroxy-N-(2-hydroxyethyl)octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

553
Patents

341.293 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.30028 194.1
[M+Na]+ 364.28222 193.8
[M-H]- 340.28572 188.9
[M+NH4]+ 359.32682 205.8
[M+K]+ 380.25616 189.4
[M+H-H2O]+ 324.29026 186.7
[M+HCOO]- 386.29120 210.3
[M+CH3COO]- 400.30685 213.4
[M+Na-2H]- 362.26767 190.4
[M]+ 341.29245 197.4
[M]- 341.29355 197.4
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