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]+ 310.274056 185.8
[M+Na]+ 332.255998 186.8
[M-H]- 308.259504 181.8
[M+NH4]+ 327.300603 199.2
[M+K]+ 348.229938 182.0
[M+H-H2O]+ 292.264040 178.8
[M+HCOO]- 354.264981 203.2
[M+CH3COO]- 368.280631 209.6
[M+Na-2H]- 330.241446 182.0
[M]+ 309.26623142 187.5
[M]- 309.26732858 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.