CID 170839

4-amino-3-hydroxynaphthalene-1-carbonitrile

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

13
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 142.1
[M+Na]+ 207.05288 155.0
[M+NH4]+ 202.09748 147.6
[M+K]+ 223.02682 145.1
[M-H]- 183.05638 138.0
[M+Na-2H]- 205.03833 146.1
[M]+ 184.06311 141.9
[M]- 184.06421 141.9
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

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