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]+ 281.20122 174.9
[M+Na]+ 303.18316 182.7
[M-H]- 279.18666 178.9
[M+NH4]+ 298.22776 190.4
[M+K]+ 319.15710 177.0
[M+H-H2O]+ 263.19120 161.1
[M+HCOO]- 325.19214 192.3
[M+CH3COO]- 339.20779 219.1
[M+Na-2H]- 301.16861 179.3
[M]+ 280.19339 171.8
[M]- 280.19449 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.