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]+ 123.091676 125.4
[M+Na]+ 145.073618 136.2
[M-H]- 121.077124 126.8
[M+NH4]+ 140.118223 150.5
[M+K]+ 161.047558 131.3
[M+H-H2O]+ 105.081660 113.7
[M+HCOO]- 167.082601 143.0
[M+CH3COO]- 181.098251 138.2
[M+Na-2H]- 143.059066 131.6
[M]+ 122.08385142 118.7
[M]- 122.08494858 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