CID 42828

4-amino-1-naphthalenecarbonitrile

Structural Information

Molecular Formula
C11H8N2
SMILES
C1=CC=C2C(=C1)C(=CC=C2N)C#N
InChI
InChI=1S/C11H8N2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,13H2
InChIKey
LUSIZUFVMKYWGX-UHFFFAOYSA-N
Compound name
4-aminonaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

324
Patents

168.06874 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 139.3
[M+Na]+ 191.05796 150.8
[M-H]- 167.06146 143.1
[M+NH4]+ 186.10256 158.5
[M+K]+ 207.03190 145.0
[M+H-H2O]+ 151.06600 127.2
[M+HCOO]- 213.06694 159.7
[M+CH3COO]- 227.08259 151.6
[M+Na-2H]- 189.04341 146.5
[M]+ 168.06819 132.7
[M]- 168.06929 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe