CID 21956239

5-amino-2,3-dihydro-isoindol-1-one

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1C2=C(C=CC(=C2)N)C(=O)N1
InChI
InChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4,9H2,(H,10,11)
InChIKey
RGJCJWXNNDARPQ-UHFFFAOYSA-N
Compound name
5-amino-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

148.06366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 127.7
[M+Na]+ 171.05288 136.8
[M-H]- 147.05638 129.6
[M+NH4]+ 166.09748 149.6
[M+K]+ 187.02682 133.2
[M+H-H2O]+ 131.06092 122.1
[M+HCOO]- 193.06186 149.9
[M+CH3COO]- 207.07751 173.6
[M+Na-2H]- 169.03833 133.7
[M]+ 148.06311 123.9
[M]- 148.06421 123.9
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