CID 149362683

2427583-96-6

Structural Information

Molecular Formula
C7H9N
SMILES
C#CC1[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C7H9N/c1-2-5-6-3-8-4-7(5)6/h1,5-8H,3-4H2/t5?,6-,7+
InChIKey
YIFIZAXYNWGAOM-DGUCWDHESA-N
Compound name
(1S,5R)-6-ethynyl-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

107.0735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 120.1
[M+Na]+ 130.062718 136.5
[M-H]- 106.066224 123.3
[M+NH4]+ 125.107323 138.7
[M+K]+ 146.036658 128.2
[M+H-H2O]+ 90.070760 111.2
[M+HCOO]- 152.071701 136.8
[M+CH3COO]- 166.087351 133.8
[M+Na-2H]- 128.048166 126.9
[M]+ 107.07295142 116.1
[M]- 107.07404858 116.1
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

patents stripe