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]+ 157.07717 124.6
[M+Na]+ 179.05911 131.6
[M-H]- 155.06261 126.6
[M+NH4]+ 174.10371 136.3
[M+K]+ 195.03305 133.4
[M+H-H2O]+ 139.06715 112.2
[M+HCOO]- 201.06809 143.1
[M+CH3COO]- 215.08374 175.7
[M+Na-2H]- 177.04456 130.3
[M]+ 156.06934 130.8
[M]- 156.07044 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.