CID 2773213

5-amino-2-oxindole

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1C2=C(C=CC(=C2)N)NC1=O
InChI
InChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4,9H2,(H,10,11)
InChIKey
JPUYXUBUJJDJNL-UHFFFAOYSA-N
Compound name
5-amino-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

996
Patents

148.06366 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe