CID 164886271

2-azabicyclo[4.1.0]heptane-5-carbonitrile hydrochloride

Structural Information

Molecular Formula
C7H10N2
SMILES
C1CNC2CC2C1C#N
InChI
InChI=1S/C7H10N2/c8-4-5-1-2-9-7-3-6(5)7/h5-7,9H,1-3H2
InChIKey
YBQQFIRKRWVYRB-UHFFFAOYSA-N
Compound name
2-azabicyclo[4.1.0]heptane-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.0844 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 123.5
[M+Na]+ 145.07362 138.4
[M-H]- 121.07712 127.6
[M+NH4]+ 140.11822 140.2
[M+K]+ 161.04756 131.3
[M+H-H2O]+ 105.08166 114.0
[M+HCOO]- 167.08260 140.6
[M+CH3COO]- 181.09825 136.6
[M+Na-2H]- 143.05907 132.1
[M]+ 122.08385 118.6
[M]- 122.08495 118.6
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.