CID 2764578

3-(hydroxymethyl)-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)CO
InChI
InChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5,12H,6H2,(H,11,13)
InChIKey
VHJYMYGHHCHEDA-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

175.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.4
[M+Na]+ 198.05254 143.1
[M-H]- 174.05604 134.5
[M+NH4]+ 193.09714 152.3
[M+K]+ 214.02648 138.7
[M+H-H2O]+ 158.06058 127.4
[M+HCOO]- 220.06152 153.9
[M+CH3COO]- 234.07717 174.8
[M+Na-2H]- 196.03799 142.1
[M]+ 175.06277 132.2
[M]- 175.06387 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