CID 69141

4-hydroxyquinoline

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC=C2C(=C1)C(=O)C=CN2
InChI
InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
InChIKey
PMZDQRJGMBOQBF-UHFFFAOYSA-N
Compound name
1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

142
References

11496
Patents

145.05276 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 124.9
[M+Na]+ 168.041978 134.7
[M-H]- 144.045484 127.2
[M+NH4]+ 163.086583 145.5
[M+K]+ 184.015918 130.8
[M+H-H2O]+ 128.050020 118.9
[M+HCOO]- 190.050961 147.1
[M+CH3COO]- 204.066611 139.0
[M+Na-2H]- 166.027426 135.4
[M]+ 145.05221142 123.4
[M]- 145.05330858 123.4
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