CID 101157

2-oxazoline, 2-(8,11-heptadecadienyl)-5-methyl-

Structural Information

Molecular Formula
C21H37NO
SMILES
CCCCCC=CCC=CCCCCCCCC1=NCC(O1)C
InChI
InChI=1S/C21H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20(2)23-21/h7-8,10-11,20H,3-6,9,12-19H2,1-2H3
InChIKey
BFGAOVWMEHPBAM-UHFFFAOYSA-N
Compound name
2-heptadeca-8,11-dienyl-5-methyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.2875 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.294776 188.2
[M+Na]+ 342.276718 191.1
[M-H]- 318.280224 188.5
[M+NH4]+ 337.321323 202.0
[M+K]+ 358.250658 186.7
[M+H-H2O]+ 302.284760 180.0
[M+HCOO]- 364.285701 206.4
[M+CH3COO]- 378.301351 210.6
[M+Na-2H]- 340.262166 186.7
[M]+ 319.28695142 193.1
[M]- 319.28804858 193.1
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.