CID 17398

2572-88-5

Structural Information

Molecular Formula
C17H20N2
SMILES
CC(CCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C17H20N2/c1-17(13-18,11-12-19(2)3)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,11-12H2,1-3H3
InChIKey
HGLDREUVVOSRSX-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-methyl-2-naphthalen-1-ylbutanenitrile
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 166.8
[M+Na]+ 275.151858 175.4
[M-H]- 251.155364 171.2
[M+NH4]+ 270.196463 183.4
[M+K]+ 291.125798 170.1
[M+H-H2O]+ 235.159900 153.5
[M+HCOO]- 297.160841 184.8
[M+CH3COO]- 311.176491 213.8
[M+Na-2H]- 273.137306 172.2
[M]+ 252.16209142 163.2
[M]- 252.16318858 163.2
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.