CID 101157

64046-70-4

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]+ 320.29478 188.2
[M+Na]+ 342.27672 191.1
[M-H]- 318.28022 188.5
[M+NH4]+ 337.32132 202.0
[M+K]+ 358.25066 186.7
[M+H-H2O]+ 302.28476 180.0
[M+HCOO]- 364.28570 206.4
[M+CH3COO]- 378.30135 210.6
[M+Na-2H]- 340.26217 186.7
[M]+ 319.28695 193.1
[M]- 319.28805 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.