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

65
Patents

150.11569 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 136.4
[M+Na]+ 173.10491 146.5
[M+NH4]+ 168.14951 142.6
[M+K]+ 189.07885 138.4
[M-H]- 149.10841 130.1
[M+Na-2H]- 171.09036 136.7
[M]+ 150.11514 135.1
[M]- 150.11624 135.1
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