CID 11506528

35462-47-6

Structural Information

Molecular Formula
C11H7NO
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)C#N
InChI
InChI=1S/C11H7NO/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6,13H
InChIKey
WRCUUNRCGDNUQJ-UHFFFAOYSA-N
Compound name
4-hydroxynaphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

169.05276 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.060036 137.5
[M+Na]+ 192.041978 149.5
[M-H]- 168.045484 140.8
[M+NH4]+ 187.086583 156.7
[M+K]+ 208.015918 143.6
[M+H-H2O]+ 152.050020 126.0
[M+HCOO]- 214.050961 156.6
[M+CH3COO]- 228.066611 150.0
[M+Na-2H]- 190.027426 145.2
[M]+ 169.05221142 132.2
[M]- 169.05330858 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