CID 170839

Einecs 256-568-7

Structural Information

Molecular Formula
C11H8N2O
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)O)C#N
InChI
InChI=1S/C11H8N2O/c12-6-7-5-10(14)11(13)9-4-2-1-3-8(7)9/h1-5,14H,13H2
InChIKey
BKJNOOATZWQVDU-UHFFFAOYSA-N
Compound name
4-amino-3-hydroxynaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

184.06366 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 143.2
[M+Na]+ 207.05288 155.0
[M-H]- 183.05638 146.2
[M+NH4]+ 202.09748 161.4
[M+K]+ 223.02682 149.2
[M+H-H2O]+ 167.06092 131.5
[M+HCOO]- 229.06186 162.5
[M+CH3COO]- 243.07751 155.1
[M+Na-2H]- 205.03833 149.3
[M]+ 184.06311 136.7
[M]- 184.06421 136.7
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