CID 44191304

Methyl 1-acetyl-2-oxoindoline-6-carboxylate

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC(=O)N1C(=O)CC2=C1C=C(C=C2)C(=O)OC
InChI
InChI=1S/C12H11NO4/c1-7(14)13-10-5-9(12(16)17-2)4-3-8(10)6-11(13)15/h3-5H,6H2,1-2H3
InChIKey
QIMXPFXIAXDPBS-UHFFFAOYSA-N
Compound name
methyl 1-acetyl-2-oxo-3H-indole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

233.0688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 149.8
[M+Na]+ 256.05802 160.6
[M+NH4]+ 251.10262 156.3
[M+K]+ 272.03196 158.2
[M-H]- 232.06152 149.3
[M+Na-2H]- 254.04347 152.5
[M]+ 233.06825 150.8
[M]- 233.06935 150.8
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