CID 43409039

2-(decahydroquinolin-1-yl)acetonitrile

Structural Information

Molecular Formula
C11H18N2
SMILES
C1CCC2C(C1)CCCN2CC#N
InChI
InChI=1S/C11H18N2/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13/h10-11H,1-6,8-9H2
InChIKey
BLOIDUVEBKSVSL-UHFFFAOYSA-N
Compound name
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.15428 137.7
[M+Na]+ 201.13622 144.5
[M-H]- 177.13972 139.0
[M+NH4]+ 196.18082 155.3
[M+K]+ 217.11016 139.6
[M+H-H2O]+ 161.14426 124.7
[M+HCOO]- 223.14520 150.4
[M+CH3COO]- 237.16085 193.8
[M+Na-2H]- 199.12167 142.5
[M]+ 178.14645 126.6
[M]- 178.14755 126.6
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.