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

195
Patents

351.31372 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.32100 194.4
[M+Na]+ 374.30294 196.8
[M-H]- 350.30644 193.4
[M+NH4]+ 369.34754 208.1
[M+K]+ 390.27688 192.7
[M+H-H2O]+ 334.31098 187.0
[M+HCOO]- 396.31192 210.8
[M+CH3COO]- 410.32757 213.8
[M+Na-2H]- 372.28839 193.4
[M]+ 351.31317 200.3
[M]- 351.31427 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