CID 19860766

3-ethyl-5-hydroxy-1,3-dimethyl-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCC1(C2=C(C=CC(=C2)O)N(C1=O)C)C
InChI
InChI=1S/C12H15NO2/c1-4-12(2)9-7-8(14)5-6-10(9)13(3)11(12)15/h5-7,14H,4H2,1-3H3
InChIKey
HXTZVERNCJVVLU-UHFFFAOYSA-N
Compound name
3-ethyl-5-hydroxy-1,3-dimethylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 143.3
[M+Na]+ 228.09950 154.3
[M-H]- 204.10300 146.3
[M+NH4]+ 223.14410 166.3
[M+K]+ 244.07344 150.9
[M+H-H2O]+ 188.10754 138.6
[M+HCOO]- 250.10848 164.0
[M+CH3COO]- 264.12413 185.5
[M+Na-2H]- 226.08495 147.8
[M]+ 205.10973 145.2
[M]- 205.11083 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe