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 131.0
[M+Na]+ 173.10491 140.7
[M-H]- 149.10841 132.1
[M+NH4]+ 168.14951 152.3
[M+K]+ 189.07885 136.0
[M+H-H2O]+ 133.11295 119.1
[M+HCOO]- 195.11389 146.0
[M+CH3COO]- 209.12954 142.7
[M+Na-2H]- 171.09036 135.6
[M]+ 150.11514 123.3
[M]- 150.11624 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