CID 58456158

6-(aminomethyl)isoindolin-1-one hydrochloride

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1C2=C(C=C(C=C2)CN)C(=O)N1
InChI
InChI=1S/C9H10N2O/c10-4-6-1-2-7-5-11-9(12)8(7)3-6/h1-3H,4-5,10H2,(H,11,12)
InChIKey
SWVACKJYWYOGRE-UHFFFAOYSA-N
Compound name
6-(aminomethyl)-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

162.07932 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 132.8
[M+Na]+ 185.06854 143.8
[M+NH4]+ 180.11314 141.3
[M+K]+ 201.04248 139.7
[M-H]- 161.07204 134.3
[M+Na-2H]- 183.05399 137.4
[M]+ 162.07877 134.5
[M]- 162.07987 134.5
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