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

198
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

literature stripe

Patent stripe

patents stripe