CID 76541648

40986-29-6

Structural Information

Molecular Formula
C21H41NO3
SMILES
CCCCCCC(CC=CCCCCCCCC(=O)NC(C)CO)O
InChI
InChI=1S/C21H41NO3/c1-3-4-5-12-15-20(24)16-13-10-8-6-7-9-11-14-17-21(25)22-19(2)18-23/h10,13,19-20,23-24H,3-9,11-12,14-18H2,1-2H3,(H,22,25)
InChIKey
WTVHMZGCRKOVNU-UHFFFAOYSA-N
Compound name
12-hydroxy-N-(1-hydroxypropan-2-yl)octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

355.30865 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.31593 199.4
[M+Na]+ 378.29787 198.5
[M-H]- 354.30137 194.1
[M+NH4]+ 373.34247 210.5
[M+K]+ 394.27181 194.4
[M+H-H2O]+ 338.30591 192.0
[M+HCOO]- 400.30685 214.3
[M+CH3COO]- 414.32250 217.2
[M+Na-2H]- 376.28332 193.9
[M]+ 355.30810 202.4
[M]- 355.30920 202.4
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

No patent data available for this compound.