CID 3264931

4,7-dimethyl-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=C2C(=C(C=C1)C)NC(=O)C2=O
InChI
InChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
InChIKey
VYRDPBOVRAVNKT-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

175.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 134.1
[M+Na]+ 198.052538 145.3
[M-H]- 174.056044 137.0
[M+NH4]+ 193.097143 156.0
[M+K]+ 214.026478 141.5
[M+H-H2O]+ 158.060580 129.1
[M+HCOO]- 220.061521 155.6
[M+CH3COO]- 234.077171 179.1
[M+Na-2H]- 196.037986 138.3
[M]+ 175.06277142 134.2
[M]- 175.06386858 134.2
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