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]+ 253.16992 166.8
[M+Na]+ 275.15186 175.4
[M-H]- 251.15536 171.2
[M+NH4]+ 270.19646 183.4
[M+K]+ 291.12580 170.1
[M+H-H2O]+ 235.15990 153.5
[M+HCOO]- 297.16084 184.8
[M+CH3COO]- 311.17649 213.8
[M+Na-2H]- 273.13731 172.2
[M]+ 252.16209 163.2
[M]- 252.16319 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.