CID 2055049

1-(propan-2-yl)-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(C)N1C2=CC=CC=C2C(=O)C1=O
InChI
InChI=1S/C11H11NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3
InChIKey
QBLFUHJXULERAQ-UHFFFAOYSA-N
Compound name
1-propan-2-ylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

189.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 138.6
[M+Na]+ 212.068198 148.5
[M-H]- 188.071704 142.5
[M+NH4]+ 207.112803 160.3
[M+K]+ 228.042138 145.9
[M+H-H2O]+ 172.076240 133.0
[M+HCOO]- 234.077181 160.3
[M+CH3COO]- 248.092831 184.3
[M+Na-2H]- 210.053646 142.2
[M]+ 189.07843142 139.9
[M]- 189.07952858 139.9
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