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]+ 253.169916 164.5
[M+Na]+ 275.151858 172.5
[M-H]- 251.155364 168.5
[M+NH4]+ 270.196463 180.9
[M+K]+ 291.125798 167.0
[M+H-H2O]+ 235.159900 150.7
[M+HCOO]- 297.160841 183.0
[M+CH3COO]- 311.176491 214.2
[M+Na-2H]- 273.137306 168.4
[M]+ 252.16209142 160.7
[M]- 252.16318858 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.