CID 70698937

Cer(d16:1/20:0)

Structural Information

Molecular Formula
C36H71NO3
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCC)O
InChI
InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1
InChIKey
GOOUFNPMMZFHJF-NXCSZAMKSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxyhexadec-4-en-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.5434 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.55068 259.9
[M+Na]+ 588.53262 265.2
[M-H]- 564.53612 246.1
[M+NH4]+ 583.57722 256.9
[M+K]+ 604.50656 266.1
[M+H-H2O]+ 548.54066 257.2
[M+HCOO]- 610.54160 257.6
[M+CH3COO]- 624.55725 260.4
[M+Na-2H]- 586.51807 242.4
[M]+ 565.54285 255.2
[M]- 565.54395 255.2
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.