CID 26092

13531-98-1

Structural Information

Molecular Formula
C19H24N2
SMILES
CCC(CCCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C19H24N2/c1-4-19(15-20,13-8-14-21(2)3)18-12-7-10-16-9-5-6-11-17(16)18/h5-7,9-12H,4,8,13-14H2,1-3H3
InChIKey
IWDPHMLVCKMQDC-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2-ethyl-2-naphthalen-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 174.9
[M+Na]+ 303.183158 182.7
[M-H]- 279.186664 178.9
[M+NH4]+ 298.227763 190.4
[M+K]+ 319.157098 177.0
[M+H-H2O]+ 263.191200 161.1
[M+HCOO]- 325.192141 192.3
[M+CH3COO]- 339.207791 219.1
[M+Na-2H]- 301.168606 179.3
[M]+ 280.19339142 171.8
[M]- 280.19448858 171.8
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.