CID 14816728

4-(aminomethyl)-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1=CC=C2C(=C1)C(=CC(=O)N2)CN
InChI
InChI=1S/C10H10N2O/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6,11H2,(H,12,13)
InChIKey
RDXKAGOGKMCTBH-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

174.07932 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 134.1
[M+Na]+ 197.06854 143.5
[M-H]- 173.07204 136.0
[M+NH4]+ 192.11314 153.2
[M+K]+ 213.04248 138.9
[M+H-H2O]+ 157.07658 127.7
[M+HCOO]- 219.07752 156.3
[M+CH3COO]- 233.09317 179.6
[M+Na-2H]- 195.05399 142.6
[M]+ 174.07877 131.7
[M]- 174.07987 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe