CID 13734431

104995-13-3

Structural Information

Molecular Formula
C10H12N2O2
SMILES
COC1=C2C(=C(C=C1)N)CCC(=O)N2
InChI
InChI=1S/C10H12N2O2/c1-14-8-4-3-7(11)6-2-5-9(13)12-10(6)8/h3-4H,2,5,11H2,1H3,(H,12,13)
InChIKey
JIPDODZZPMQXNU-UHFFFAOYSA-N
Compound name
5-amino-8-methoxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 139.9
[M+Na]+ 215.07909 148.0
[M-H]- 191.08259 141.4
[M+NH4]+ 210.12369 158.3
[M+K]+ 231.05303 144.5
[M+H-H2O]+ 175.08713 133.5
[M+HCOO]- 237.08807 159.3
[M+CH3COO]- 251.10372 183.6
[M+Na-2H]- 213.06454 145.7
[M]+ 192.08932 136.4
[M]- 192.09042 136.4
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.