CID 44191304

Methyl 1-acetyl-2-oxo-3h-indole-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

90
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 148.1
[M+Na]+ 256.05802 157.4
[M-H]- 232.06152 151.9
[M+NH4]+ 251.10262 167.8
[M+K]+ 272.03196 155.7
[M+H-H2O]+ 216.06606 142.2
[M+HCOO]- 278.06700 169.0
[M+CH3COO]- 292.08265 190.3
[M+Na-2H]- 254.04347 150.2
[M]+ 233.06825 151.1
[M]- 233.06935 151.1
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