CID 22064627

6-amino-2,3-dihydro-1h-isoindol-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

148.06366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 127.7
[M+Na]+ 171.052878 136.8
[M-H]- 147.056384 129.6
[M+NH4]+ 166.097483 149.6
[M+K]+ 187.026818 133.2
[M+H-H2O]+ 131.060920 122.1
[M+HCOO]- 193.061861 149.9
[M+CH3COO]- 207.077511 173.6
[M+Na-2H]- 169.038326 133.7
[M]+ 148.06311142 123.9
[M]- 148.06420858 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