CID 167721652

En300-45206134

Structural Information

Molecular Formula
C7H12FN
SMILES
C1[C@H]2C[C@H]([C@@H]1CN2)CF
InChI
InChI=1S/C7H12FN/c8-3-5-1-7-2-6(5)4-9-7/h5-7,9H,1-4H2/t5-,6-,7+/m0/s1
InChIKey
LWIKDAYIKQWTOM-LYFYHCNISA-N
Compound name
(1S,4R,5R)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.09538 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.10266 127.3
[M+Na]+ 152.08460 134.6
[M-H]- 128.08810 126.0
[M+NH4]+ 147.12920 152.5
[M+K]+ 168.05854 132.2
[M+H-H2O]+ 112.09264 121.6
[M+HCOO]- 174.09358 145.4
[M+CH3COO]- 188.10923 140.1
[M+Na-2H]- 150.07005 130.7
[M]+ 129.09483 122.2
[M]- 129.09593 122.2
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.