CID 132312857

2126160-91-4

Structural Information

Molecular Formula
C7H9N
SMILES
C#CC12CC(C1)CN2
InChI
InChI=1S/C7H9N/c1-2-7-3-6(4-7)5-8-7/h1,6,8H,3-5H2
InChIKey
QSCXMKYBNRKEQR-UHFFFAOYSA-N
Compound name
1-ethynyl-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

107.0735 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 127.3
[M+Na]+ 130.062718 137.5
[M-H]- 106.066224 125.9
[M+NH4]+ 125.107323 148.6
[M+K]+ 146.036658 133.8
[M+H-H2O]+ 90.070760 115.0
[M+HCOO]- 152.071701 139.4
[M+CH3COO]- 166.087351 138.9
[M+Na-2H]- 128.048166 134.7
[M]+ 107.07295142 131.2
[M]- 107.07404858 131.2
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.