CID 15663609

1-azabicyclo[2.2.1]heptane-4-carbonitrile

Structural Information

Molecular Formula
C7H10N2
SMILES
C1CN2CCC1(C2)C#N
InChI
InChI=1S/C7H10N2/c8-5-7-1-3-9(6-7)4-2-7/h1-4,6H2
InChIKey
KRWYBTQGXVMLBR-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.1]heptane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 125.4
[M+Na]+ 145.07362 136.2
[M-H]- 121.07712 126.8
[M+NH4]+ 140.11822 150.5
[M+K]+ 161.04756 131.3
[M+H-H2O]+ 105.08166 113.7
[M+HCOO]- 167.08260 143.0
[M+CH3COO]- 181.09825 138.2
[M+Na-2H]- 143.05907 131.6
[M]+ 122.08385 118.7
[M]- 122.08495 118.7
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