CID 16795817

6-(3-amino-2-hydroxypropoxy)-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C12H16N2O3
SMILES
C1CC(=O)NC2=C1C=C(C=C2)OCC(CN)O
InChI
InChI=1S/C12H16N2O3/c13-6-9(15)7-17-10-2-3-11-8(5-10)1-4-12(16)14-11/h2-3,5,9,15H,1,4,6-7,13H2,(H,14,16)
InChIKey
NGABWPAJCPYMQQ-UHFFFAOYSA-N
Compound name
6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 152.0
[M+Na]+ 259.105308 157.4
[M-H]- 235.108814 151.3
[M+NH4]+ 254.149913 167.3
[M+K]+ 275.079248 153.7
[M+H-H2O]+ 219.113350 145.1
[M+HCOO]- 281.114291 168.4
[M+CH3COO]- 295.129941 189.2
[M+Na-2H]- 257.090756 155.8
[M]+ 236.11554142 147.8
[M]- 236.11663858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.