CID 167725716

3-(azetidin-3-yl)-5-(fluoromethyl)-1,2-oxazole hydrochloride

Structural Information

Molecular Formula
C7H9FN2O
SMILES
C1C(CN1)C2=NOC(=C2)CF
InChI
InChI=1S/C7H9FN2O/c8-2-6-1-7(10-11-6)5-3-9-4-5/h1,5,9H,2-4H2
InChIKey
DSWRGPUZHMMSKR-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)-5-(fluoromethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06989 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.077166 124.6
[M+Na]+ 179.059108 131.6
[M-H]- 155.062614 126.6
[M+NH4]+ 174.103713 136.3
[M+K]+ 195.033048 133.4
[M+H-H2O]+ 139.067150 112.2
[M+HCOO]- 201.068091 143.1
[M+CH3COO]- 215.083741 175.7
[M+Na-2H]- 177.044556 130.3
[M]+ 156.06934142 130.8
[M]- 156.07043858 130.8
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

No patent data available for this compound.