CID 11171078

58130-32-8

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC2=C(CC(=O)N2)C(=O)C1
InChI
InChI=1S/C8H9NO2/c10-7-3-1-2-6-5(7)4-8(11)9-6/h1-4H2,(H,9,11)
InChIKey
DTJDGFSSQCEPSW-UHFFFAOYSA-N
Compound name
3,5,6,7-tetrahydro-1H-indole-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.06332 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.4
[M+Na]+ 174.05254 137.5
[M-H]- 150.05604 131.1
[M+NH4]+ 169.09714 151.4
[M+K]+ 190.02648 134.6
[M+H-H2O]+ 134.06058 124.0
[M+HCOO]- 196.06152 148.6
[M+CH3COO]- 210.07717 171.4
[M+Na-2H]- 172.03799 133.9
[M]+ 151.06277 125.0
[M]- 151.06387 125.0
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