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]+ 237.12337 152.0
[M+Na]+ 259.10531 157.4
[M-H]- 235.10881 151.3
[M+NH4]+ 254.14991 167.3
[M+K]+ 275.07925 153.7
[M+H-H2O]+ 219.11335 145.1
[M+HCOO]- 281.11429 168.4
[M+CH3COO]- 295.12994 189.2
[M+Na-2H]- 257.09076 155.8
[M]+ 236.11554 147.8
[M]- 236.11664 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.