CID 71391107

61935-05-5

Structural Information

Molecular Formula
C11H11NO4
SMILES
COC(=O)CC1C2=C(C=CC(=C2)O)NC1=O
InChI
InChI=1S/C11H11NO4/c1-16-10(14)5-8-7-4-6(13)2-3-9(7)12-11(8)15/h2-4,8,13H,5H2,1H3,(H,12,15)
InChIKey
PQPVNWBNDOFPBO-UHFFFAOYSA-N
Compound name
methyl 2-(5-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 146.0
[M+Na]+ 244.058018 154.8
[M-H]- 220.061524 147.0
[M+NH4]+ 239.102623 164.8
[M+K]+ 260.031958 151.6
[M+H-H2O]+ 204.066060 140.5
[M+HCOO]- 266.067001 165.0
[M+CH3COO]- 280.082651 183.0
[M+Na-2H]- 242.043466 148.8
[M]+ 221.06825142 146.4
[M]- 221.06934858 146.4
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

No patent data available for this compound.