CID 118998009

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

Structural Information

Molecular Formula
C8H12N2
SMILES
C1CC2CNCC1C2C#N
InChI
InChI=1S/C8H12N2/c9-3-8-6-1-2-7(8)5-10-4-6/h6-8,10H,1-2,4-5H2
InChIKey
BVPPILBMDPTIOZ-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.2.1]octane-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

136.10005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 128.5
[M+Na]+ 159.089268 137.4
[M-H]- 135.092774 128.2
[M+NH4]+ 154.133873 149.4
[M+K]+ 175.063208 132.1
[M+H-H2O]+ 119.097310 116.7
[M+HCOO]- 181.098251 142.5
[M+CH3COO]- 195.113901 139.6
[M+Na-2H]- 157.074716 133.7
[M]+ 136.09950142 118.5
[M]- 136.10059858 118.5
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