CID 11206649

848949-90-6

Structural Information

Molecular Formula
C11H16FNO2
SMILES
CC(C)(CC1C(=O)OC(=N1)CCC=C)F
InChI
InChI=1S/C11H16FNO2/c1-4-5-6-9-13-8(10(14)15-9)7-11(2,3)12/h4,8H,1,5-7H2,2-3H3
InChIKey
VSBIIQPQFPMPEV-UHFFFAOYSA-N
Compound name
2-but-3-enyl-4-(2-fluoro-2-methylpropyl)-4H-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

213.1165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12378 146.8
[M+Na]+ 236.10572 155.2
[M-H]- 212.10922 148.3
[M+NH4]+ 231.15032 165.1
[M+K]+ 252.07966 153.8
[M+H-H2O]+ 196.11376 140.5
[M+HCOO]- 258.11470 165.9
[M+CH3COO]- 272.13035 188.0
[M+Na-2H]- 234.09117 150.5
[M]+ 213.11595 148.4
[M]- 213.11705 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe