CID 9883292

31148-92-2

Structural Information

Molecular Formula
C19H39NO2
SMILES
CCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)18(20)17-21/h15-16,18-19,21-22H,2-14,17,20H2,1H3/b16-15+/t18-,19+/m0/s1
InChIKey
RYLBRSKITMRIJM-OVMWUVNSSA-N
Compound name
(E,2S,3R)-2-aminononadec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

313.29807 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.30535 188.8
[M+Na]+ 336.28729 188.7
[M-H]- 312.29079 183.3
[M+NH4]+ 331.33189 201.4
[M+K]+ 352.26123 184.2
[M+H-H2O]+ 296.29533 181.7
[M+HCOO]- 358.29627 204.3
[M+CH3COO]- 372.31192 209.4
[M+Na-2H]- 334.27274 184.4
[M]+ 313.29752 190.0
[M]- 313.29862 190.0
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

patents stripe