CID 25872

13326-33-5

Structural Information

Molecular Formula
C19H22N2
SMILES
C1CCN(C1)CCCC(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H22N2/c20-15-17(9-6-14-21-12-3-4-13-21)19-11-5-8-16-7-1-2-10-18(16)19/h1-2,5,7-8,10-11,17H,3-4,6,9,12-14H2
InChIKey
HZRMKUFNKPGRQN-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-5-pyrrolidin-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.185556 169.8
[M+Na]+ 301.167498 177.4
[M-H]- 277.171004 173.1
[M+NH4]+ 296.212103 184.8
[M+K]+ 317.141438 168.8
[M+H-H2O]+ 261.175540 154.6
[M+HCOO]- 323.176481 184.6
[M+CH3COO]- 337.192131 178.5
[M+Na-2H]- 299.152946 171.1
[M]+ 278.17773142 162.4
[M]- 278.17882858 162.4
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.