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

0
Patents

136.10005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 128.5
[M+Na]+ 159.08927 137.4
[M-H]- 135.09277 128.2
[M+NH4]+ 154.13387 149.4
[M+K]+ 175.06321 132.1
[M+H-H2O]+ 119.09731 116.7
[M+HCOO]- 181.09825 142.5
[M+CH3COO]- 195.11390 139.6
[M+Na-2H]- 157.07472 133.7
[M]+ 136.09950 118.5
[M]- 136.10060 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

No patent data available for this compound.