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
(1S,5R)-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]+ 116.087006 122.2
[M+Na]+ 138.068948 132.3
[M-H]- 114.072454 123.6
[M+NH4]+ 133.113553 140.8
[M+K]+ 154.042888 128.7
[M+H-H2O]+ 98.076990 115.7
[M+HCOO]- 160.077931 141.6
[M+CH3COO]- 174.093581 171.0
[M+Na-2H]- 136.054396 127.8
[M]+ 115.07918142 120.6
[M]- 115.08027858 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.