CID 9855513

366452-98-4

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1C2=C(C=CC=C2N)C(=O)N1
InChI
InChI=1S/C8H8N2O/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4,9H2,(H,10,11)
InChIKey
GZRGLZWHIFBBLS-UHFFFAOYSA-N
Compound name
4-amino-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

192
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

literature stripe

Patent stripe

patents stripe