CID 19158

3582-41-0

Structural Information

Molecular Formula
C16H18N2
SMILES
CN(C)CCC(C#N)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C16H18N2/c1-18(2)10-9-16(12-17)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16H,9-10H2,1-2H3
InChIKey
QEDVOUKKGFBBBD-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-naphthalen-2-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.147 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 160.6
[M+Na]+ 261.13622 173.0
[M+NH4]+ 256.18082 166.4
[M+K]+ 277.11016 161.8
[M-H]- 237.13972 157.4
[M+Na-2H]- 259.12167 165.0
[M]+ 238.14645 160.7
[M]- 238.14755 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.