CID 5355724

2-oxazoline, 2-(8-heptadecenyl)-

Structural Information

Molecular Formula
C20H37NO
SMILES
CCCCCCCC/C=C/CCCCCCCC1=NCCO1
InChI
InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h9-10H,2-8,11-19H2,1H3/b10-9+
InChIKey
SOTODSFNXCLCGH-MDZDMXLPSA-N
Compound name
2-[(E)-heptadec-8-enyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

307.2875 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.29478 185.0
[M+Na]+ 330.27672 187.0
[M-H]- 306.28022 185.1
[M+NH4]+ 325.32132 199.0
[M+K]+ 346.25066 183.5
[M+H-H2O]+ 290.28476 176.5
[M+HCOO]- 352.28570 203.3
[M+CH3COO]- 366.30135 208.0
[M+Na-2H]- 328.26217 184.7
[M]+ 307.28695 189.9
[M]- 307.28805 189.9
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