CID 91186

24448-07-5

Structural Information

Molecular Formula
C17H33NO2
SMILES
CCCCCCCCCCCC1=NC(CO1)(CC)CO
InChI
InChI=1S/C17H33NO2/c1-3-5-6-7-8-9-10-11-12-13-16-18-17(4-2,14-19)15-20-16/h19H,3-15H2,1-2H3
InChIKey
VBFBQEURBQANIX-UHFFFAOYSA-N
Compound name
(4-ethyl-2-undecyl-5H-1,3-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

283.25113 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.258406 173.4
[M+Na]+ 306.240348 177.6
[M-H]- 282.243854 173.3
[M+NH4]+ 301.284953 189.9
[M+K]+ 322.214288 175.3
[M+H-H2O]+ 266.248390 166.8
[M+HCOO]- 328.249331 191.2
[M+CH3COO]- 342.264981 200.4
[M+Na-2H]- 304.225796 175.0
[M]+ 283.25058142 178.2
[M]- 283.25167858 178.2
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