CID 557623

8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

Structural Information

Molecular Formula
C9H14N2
SMILES
CN1C2CCC1CC(C2)C#N
InChI
InChI=1S/C9H14N2/c1-11-8-2-3-9(11)5-7(4-8)6-10/h7-9H,2-5H2,1H3
InChIKey
DOUCIMIQXTWTDF-UHFFFAOYSA-N
Compound name
8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

150.11569 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 131.0
[M+Na]+ 173.104908 140.7
[M-H]- 149.108414 132.1
[M+NH4]+ 168.149513 152.3
[M+K]+ 189.078848 136.0
[M+H-H2O]+ 133.112950 119.1
[M+HCOO]- 195.113891 146.0
[M+CH3COO]- 209.129541 142.7
[M+Na-2H]- 171.090356 135.6
[M]+ 150.11514142 123.3
[M]- 150.11623858 123.3
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