CID 64226160

2-(2-aminoethyl)-1,2,3,4-tetrahydroisoquinolin-1-one hydrochloride

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CN(C(=O)C2=CC=CC=C21)CCN
InChI
InChI=1S/C11H14N2O/c12-6-8-13-7-5-9-3-1-2-4-10(9)11(13)14/h1-4H,5-8,12H2
InChIKey
JNVPZHOHKBJTOO-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-3,4-dihydroisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 140.8
[M+Na]+ 213.09983 148.1
[M-H]- 189.10333 143.2
[M+NH4]+ 208.14443 159.8
[M+K]+ 229.07377 144.6
[M+H-H2O]+ 173.10787 133.8
[M+HCOO]- 235.10881 161.3
[M+CH3COO]- 249.12446 185.7
[M+Na-2H]- 211.08528 147.2
[M]+ 190.11006 137.6
[M]- 190.11116 137.6
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.