CID 170913047

1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane hydrochloride

Structural Information

Molecular Formula
C7H12FNO
SMILES
C1C2CNCC1(CO2)CF
InChI
InChI=1S/C7H12FNO/c8-3-7-1-6(10-5-7)2-9-4-7/h6,9H,1-5H2
InChIKey
ZKCMRNNLUWMRDO-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.09029 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09757 128.4
[M+Na]+ 168.07951 135.0
[M-H]- 144.08301 127.3
[M+NH4]+ 163.12411 151.6
[M+K]+ 184.05345 133.8
[M+H-H2O]+ 128.08755 122.6
[M+HCOO]- 190.08849 143.7
[M+CH3COO]- 204.10414 140.7
[M+Na-2H]- 166.06496 136.0
[M]+ 145.08974 123.1
[M]- 145.09084 123.1
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.