CID 6377867

2-(8-heptadecenyl)-5-methyl-2-oxazoline

Structural Information

Molecular Formula
C21H39NO
SMILES
CCCCCCCC/C=C/CCCCCCCC1=NCC(O1)C
InChI
InChI=1S/C21H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20(2)23-21/h10-11,20H,3-9,12-19H2,1-2H3/b11-10+
InChIKey
NAGNXDBJZOWMCT-ZHACJKMWSA-N
Compound name
2-[(E)-heptadec-8-enyl]-5-methyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.30316 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.31044 188.3
[M+Na]+ 344.29238 197.0
[M+NH4]+ 339.33698 194.4
[M+K]+ 360.26632 189.6
[M-H]- 320.29588 189.8
[M+Na-2H]- 342.27783 189.3
[M]+ 321.30261 189.8
[M]- 321.30371 189.8
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.