CID 19866065

2-(heptadecenyl)-2-oxazoline-4,4-dimethanol

Structural Information

Molecular Formula
C22H41NO3
SMILES
CCCCCCCCCCCCCCC/C=C/C1=NC(CO1)(CO)CO
InChI
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h16-17,24-25H,2-15,18-20H2,1H3/b17-16+
InChIKey
XOIFQOFMUVENJH-WUKNDPDISA-N
Compound name
[2-[(E)-heptadec-1-enyl]-4-(hydroxymethyl)-5H-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

367.30865 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.31593 198.3
[M+Na]+ 390.29787 204.7
[M+NH4]+ 385.34247 203.6
[M+K]+ 406.27181 197.2
[M-H]- 366.30137 197.6
[M+Na-2H]- 388.28332 198.5
[M]+ 367.30810 198.7
[M]- 367.30920 198.7
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