CID 16641434

1803584-81-7

Structural Information

Molecular Formula
C11H12N2O
SMILES
CN1C2=CC=CC=C2C=C(C1=O)CN
InChI
InChI=1S/C11H12N2O/c1-13-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-6H,7,12H2,1H3
InChIKey
STAMLNKDZCBTOO-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 138.5
[M+Na]+ 211.08418 148.8
[M-H]- 187.08768 142.1
[M+NH4]+ 206.12878 158.1
[M+K]+ 227.05812 145.0
[M+H-H2O]+ 171.09222 131.8
[M+HCOO]- 233.09316 161.8
[M+CH3COO]- 247.10881 186.3
[M+Na-2H]- 209.06963 146.2
[M]+ 188.09441 138.7
[M]- 188.09551 138.7
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.