CID 6377867

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

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 189.3
[M+Na]+ 344.29238 191.8
[M-H]- 320.29588 189.6
[M+NH4]+ 339.33698 203.1
[M+K]+ 360.26632 188.0
[M+H-H2O]+ 304.30042 181.0
[M+HCOO]- 366.30136 207.3
[M+CH3COO]- 380.31701 212.1
[M+Na-2H]- 342.27783 187.8
[M]+ 321.30261 195.0
[M]- 321.30371 195.0
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