CID 39872419

1212147-76-6

Structural Information

Molecular Formula
C6H10FN
SMILES
C1[C@@H]2[C@@H](C2CF)CN1
InChI
InChI=1S/C6H10FN/c7-1-4-5-2-8-3-6(4)5/h4-6,8H,1-3H2/t4?,5-,6+
InChIKey
IMMWJRVCHSZLCT-GOHHTPAQSA-N
Compound name
(1R,5S)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.07973 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.08701 122.2
[M+Na]+ 138.06895 132.3
[M-H]- 114.07245 123.6
[M+NH4]+ 133.11355 140.8
[M+K]+ 154.04289 128.7
[M+H-H2O]+ 98.076990 115.7
[M+HCOO]- 160.07793 141.6
[M+CH3COO]- 174.09358 171.0
[M+Na-2H]- 136.05440 127.8
[M]+ 115.07918 120.6
[M]- 115.08028 120.6
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.