CID 71758744

4-(aminomethyl)-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1C(C2=CC=CC=C2NC1=O)CN
InChI
InChI=1S/C10H12N2O/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-4,7H,5-6,11H2,(H,12,13)
InChIKey
ZJMZHOMUFKQBLT-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.7
[M+Na]+ 199.08418 144.0
[M-H]- 175.08768 137.8
[M+NH4]+ 194.12878 155.5
[M+K]+ 215.05812 139.9
[M+H-H2O]+ 159.09222 130.2
[M+HCOO]- 221.09316 155.9
[M+CH3COO]- 235.10881 180.2
[M+Na-2H]- 197.06963 143.1
[M]+ 176.09441 131.3
[M]- 176.09551 131.3
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