CID 18837

3399-37-9

Structural Information

Molecular Formula
C17H20N2
SMILES
CN(C)CCCC(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C17H20N2/c1-19(2)12-6-9-15(13-18)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,6,9,12H2,1-2H3
InChIKey
QSYYJLRWHFBKKE-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-naphthalen-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.16264 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 164.5
[M+Na]+ 275.15186 172.5
[M-H]- 251.15536 168.5
[M+NH4]+ 270.19646 180.9
[M+K]+ 291.12580 167.0
[M+H-H2O]+ 235.15990 150.7
[M+HCOO]- 297.16084 183.0
[M+CH3COO]- 311.17649 214.2
[M+Na-2H]- 273.13731 168.4
[M]+ 252.16209 160.7
[M]- 252.16319 160.7
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.