CID 61740

4-oxazolemethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-4-methyl-

Structural Information

Molecular Formula
C22H41NO2
SMILES
CCCCCCCCC=CCCCCCCCC1=NC(CO1)(C)CO
InChI
InChI=1S/C22H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-23-22(2,19-24)20-25-21/h10-11,24H,3-9,12-20H2,1-2H3
InChIKey
HCIRJRYSFLWMMS-UHFFFAOYSA-N
Compound name
(2-heptadec-8-enyl-4-methyl-5H-1,3-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

169
Patents

351.31372 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.320996 194.4
[M+Na]+ 374.302938 196.8
[M-H]- 350.306444 193.4
[M+NH4]+ 369.347543 208.1
[M+K]+ 390.276878 192.7
[M+H-H2O]+ 334.310980 187.0
[M+HCOO]- 396.311921 210.8
[M+CH3COO]- 410.327571 213.8
[M+Na-2H]- 372.288386 193.4
[M]+ 351.31317142 200.3
[M]- 351.31426858 200.3
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