CID 134741652

Cer(d15:1(4e)/16:0)

Structural Information

Molecular Formula
C31H61NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCC)O
InChI
InChI=1S/C31H61NO3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-31(35)32-29(28-33)30(34)26-24-22-20-18-14-12-10-8-6-4-2/h24,26,29-30,33-34H,3-23,25,27-28H2,1-2H3,(H,32,35)/b26-24+/t29-,30+/m0/s1
InChIKey
JNWJZVAXJHXHJW-INXZUHKUSA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxypentadec-4-en-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.46515 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.47243 242.9
[M+Na]+ 518.45437 249.1
[M-H]- 494.45787 231.0
[M+NH4]+ 513.49897 240.0
[M+K]+ 534.42831 247.9
[M+H-H2O]+ 478.46241 240.8
[M+HCOO]- 540.46335 242.5
[M+CH3COO]- 554.47900 246.3
[M+Na-2H]- 516.43982 227.6
[M]+ 495.46460 238.5
[M]- 495.46570 238.5
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.