CID 10397272

7-(aminomethyl)-1,4-dihydroquinolin-4-one hydrochloride

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1=CC2=C(C=C1CN)NC=CC2=O
InChI
InChI=1S/C10H10N2O/c11-6-7-1-2-8-9(5-7)12-4-3-10(8)13/h1-5H,6,11H2,(H,12,13)
InChIKey
CBYIXOGCVSMBQK-UHFFFAOYSA-N
Compound name
7-(aminomethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

174.07932 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 134.1
[M+Na]+ 197.068538 143.5
[M-H]- 173.072044 136.0
[M+NH4]+ 192.113143 153.2
[M+K]+ 213.042478 138.9
[M+H-H2O]+ 157.076580 127.7
[M+HCOO]- 219.077521 156.3
[M+CH3COO]- 233.093171 179.6
[M+Na-2H]- 195.053986 142.6
[M]+ 174.07877142 131.7
[M]- 174.07986858 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

No literature data available for this compound.

Patent stripe

patents stripe