CID 17766

2809-54-3

Structural Information

Molecular Formula
C16H18N2
SMILES
CN(C)CCC(C#N)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H18N2/c1-18(2)11-10-14(12-17)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14H,10-11H2,1-2H3
InChIKey
XWDJWSFNFKEVBR-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 160.4
[M+Na]+ 261.13622 168.8
[M-H]- 237.13972 164.7
[M+NH4]+ 256.18082 177.4
[M+K]+ 277.11016 163.6
[M+H-H2O]+ 221.14426 146.8
[M+HCOO]- 283.14520 179.3
[M+CH3COO]- 297.16085 211.5
[M+Na-2H]- 259.12167 164.8
[M]+ 238.14645 156.3
[M]- 238.14755 156.3
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

patents stripe