CID 12519342

73259-83-3

Structural Information

Molecular Formula
C10H16N2
SMILES
C1CCN2CC(CCC2C1)C#N
InChI
InChI=1S/C10H16N2/c11-7-9-4-5-10-3-1-2-6-12(10)8-9/h9-10H,1-6,8H2
InChIKey
BQSDHIMENRTWTN-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

164.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 133.8
[M+Na]+ 187.120568 141.0
[M-H]- 163.124074 135.3
[M+NH4]+ 182.165173 151.9
[M+K]+ 203.094508 136.3
[M+H-H2O]+ 147.128610 121.0
[M+HCOO]- 209.129551 146.8
[M+CH3COO]- 223.145201 144.2
[M+Na-2H]- 185.106016 139.1
[M]+ 164.13080142 122.4
[M]- 164.13189858 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe