CID 28278531

1353496-62-4

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=CC2=C(C=CC(=C2)CN)NC1=O
InChI
InChI=1S/C11H12N2O/c1-7-4-9-5-8(6-12)2-3-10(9)13-11(7)14/h2-5H,6,12H2,1H3,(H,13,14)
InChIKey
ACWUXEQESIQIJB-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-3-methyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.0
[M+Na]+ 211.084178 148.9
[M-H]- 187.087684 141.2
[M+NH4]+ 206.128783 157.9
[M+K]+ 227.058118 144.2
[M+H-H2O]+ 171.092220 132.7
[M+HCOO]- 233.093161 160.8
[M+CH3COO]- 247.108811 183.8
[M+Na-2H]- 209.069626 146.2
[M]+ 188.09441142 137.3
[M]- 188.09550858 137.3
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

patents stripe