CID 2145522

1-isopropyl-5-methyl-1h-indole-2,3-dione

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=CC2=C(C=C1)N(C(=O)C2=O)C(C)C
InChI
InChI=1S/C12H13NO2/c1-7(2)13-10-5-4-8(3)6-9(10)11(14)12(13)15/h4-7H,1-3H3
InChIKey
SYJHSTNDLFUIMT-UHFFFAOYSA-N
Compound name
5-methyl-1-propan-2-ylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

203.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 142.6
[M+Na]+ 226.08386 153.0
[M-H]- 202.08736 146.7
[M+NH4]+ 221.12846 164.1
[M+K]+ 242.05780 150.2
[M+H-H2O]+ 186.09190 137.1
[M+HCOO]- 248.09284 163.9
[M+CH3COO]- 262.10849 188.6
[M+Na-2H]- 224.06931 145.1
[M]+ 203.09409 144.6
[M]- 203.09519 144.6
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