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]+ 179.154276 137.7
[M+Na]+ 201.136218 144.5
[M-H]- 177.139724 139.0
[M+NH4]+ 196.180823 155.3
[M+K]+ 217.110158 139.6
[M+H-H2O]+ 161.144260 124.7
[M+HCOO]- 223.145201 150.4
[M+CH3COO]- 237.160851 193.8
[M+Na-2H]- 199.121666 142.5
[M]+ 178.14645142 126.6
[M]- 178.14754858 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.