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

37
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 197.4
[M+Na]+ 390.29787 199.2
[M-H]- 366.30137 195.0
[M+NH4]+ 385.34247 209.6
[M+K]+ 406.27181 194.8
[M+H-H2O]+ 350.30591 190.1
[M+HCOO]- 412.30685 212.4
[M+CH3COO]- 426.32250 213.2
[M+Na-2H]- 388.28332 196.1
[M]+ 367.30810 202.8
[M]- 367.30920 202.8
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

patents stripe