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 168.5
[M+Na]+ 289.16750 176.1
[M-H]- 265.17100 172.4
[M+NH4]+ 284.21210 184.4
[M+K]+ 305.14144 170.5
[M+H-H2O]+ 249.17554 154.5
[M+HCOO]- 311.17648 186.8
[M+CH3COO]- 325.19213 216.8
[M+Na-2H]- 287.15295 171.9
[M]+ 266.17773 165.0
[M]- 266.17883 165.0
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.