CID 172407776

Chebi:231809

Structural Information

Molecular Formula
C19H35NO2
SMILES
CCCCCCC/C=C/CCCC/C=C/[C@@H](CC(=O)CN)O
InChI
InChI=1S/C19H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h8-9,14-15,18,21H,2-7,10-13,16-17,20H2,1H3/b9-8+,15-14+/t18-/m0/s1
InChIKey
ZMYZEEWFFMLUMV-CMISWSHUSA-N
Compound name
(4R,5E,11E)-1-amino-4-hydroxynonadeca-5,11-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.26678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.27406 185.8
[M+Na]+ 332.25600 186.8
[M-H]- 308.25950 181.8
[M+NH4]+ 327.30060 199.2
[M+K]+ 348.22994 182.0
[M+H-H2O]+ 292.26404 178.8
[M+HCOO]- 354.26498 203.2
[M+CH3COO]- 368.28063 209.6
[M+Na-2H]- 330.24145 182.0
[M]+ 309.26623 187.5
[M]- 309.26733 187.5
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.