CID 170913047

2995278-00-5

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]+ 146.097566 128.4
[M+Na]+ 168.079508 135.0
[M-H]- 144.083014 127.3
[M+NH4]+ 163.124113 151.6
[M+K]+ 184.053448 133.8
[M+H-H2O]+ 128.087550 122.6
[M+HCOO]- 190.088491 143.7
[M+CH3COO]- 204.104141 140.7
[M+Na-2H]- 166.064956 136.0
[M]+ 145.08974142 123.1
[M]- 145.09083858 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.