CID 23033

Alpha-(4-dimethylaminobutyl)-1-naphthylacetonitrile

Structural Information

Molecular Formula
C18H22N2
SMILES
CN(C)CCCCC(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C18H22N2/c1-20(2)13-6-5-9-16(14-19)18-12-7-10-15-8-3-4-11-17(15)18/h3-4,7-8,10-12,16H,5-6,9,13H2,1-2H3
InChIKey
LFNPPWLZMLORFR-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-2-naphthalen-1-ylhexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 168.8
[M+Na]+ 289.16750 180.9
[M+NH4]+ 284.21210 174.3
[M+K]+ 305.14144 169.2
[M-H]- 265.17100 165.5
[M+Na-2H]- 287.15295 172.7
[M]+ 266.17773 168.9
[M]- 266.17883 168.9
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.