CID 53404497

130200-57-6

Structural Information

Molecular Formula
C11H7NO
SMILES
C1=CC2=C(C=CC(=C2)O)C(=C1)C#N
InChI
InChI=1S/C11H7NO/c12-7-9-3-1-2-8-6-10(13)4-5-11(8)9/h1-6,13H
InChIKey
BSQTUYCOTSTNLF-UHFFFAOYSA-N
Compound name
6-hydroxynaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

151
Patents

169.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06004 137.5
[M+Na]+ 192.04198 149.5
[M-H]- 168.04548 140.8
[M+NH4]+ 187.08658 156.7
[M+K]+ 208.01592 143.6
[M+H-H2O]+ 152.05002 126.0
[M+HCOO]- 214.05096 156.6
[M+CH3COO]- 228.06661 150.0
[M+Na-2H]- 190.02743 145.2
[M]+ 169.05221 132.2
[M]- 169.05331 132.2
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