CID 1275343

2-(2-aminoethyl)-2,3-dihydro-1h-isoindole-1,3-dione hydrochloride

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCN
InChI
InChI=1S/C10H10N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6,11H2
InChIKey
FISUQCYYLJGIIU-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

180
Patents

190.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.3
[M+Na]+ 213.06345 148.0
[M-H]- 189.06695 141.6
[M+NH4]+ 208.10805 159.4
[M+K]+ 229.03739 144.7
[M+H-H2O]+ 173.07149 132.2
[M+HCOO]- 235.07243 161.7
[M+CH3COO]- 249.08808 184.7
[M+Na-2H]- 211.04890 143.0
[M]+ 190.07368 138.1
[M]- 190.07478 138.1
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.