CID 70698926

Cer(d14:1/16:0)

Structural Information

Molecular Formula
C30H59NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCC)O
InChI
InChI=1S/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-30(34)31-28(27-32)29(33)25-23-21-19-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1
InChIKey
OCXQIBPNDRJADM-VARSQMIESA-N
Compound name
N-[(E,2S,3R)-1,3-dihydroxytetradec-4-en-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.4495 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.45678 239.4
[M+Na]+ 504.43872 245.8
[M-H]- 480.44222 227.9
[M+NH4]+ 499.48332 236.6
[M+K]+ 520.41266 244.2
[M+H-H2O]+ 464.44676 228.7
[M+HCOO]- 526.44770 239.4
[M+CH3COO]- 540.46335 243.4
[M+Na-2H]- 502.42417 224.6
[M]+ 481.44895 235.1
[M]- 481.45005 235.1
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.