CID 45782784

Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid

Structural Information

Molecular Formula
C11H11NO5
SMILES
COC(=O)CC1(C2=C(C=CC(=C2)O)NC1=O)O
InChI
InChI=1S/C11H11NO5/c1-17-9(14)5-11(16)7-4-6(13)2-3-8(7)12-10(11)15/h2-4,13,16H,5H2,1H3,(H,12,15)
InChIKey
YPPHXVJCTQPTBV-UHFFFAOYSA-N
Compound name
methyl 2-(3,5-dihydroxy-2-oxo-1H-indol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

237.06372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07100 148.8
[M+Na]+ 260.05294 158.0
[M-H]- 236.05644 148.7
[M+NH4]+ 255.09754 168.2
[M+K]+ 276.02688 154.8
[M+H-H2O]+ 220.06098 144.2
[M+HCOO]- 282.06192 166.4
[M+CH3COO]- 296.07757 182.5
[M+Na-2H]- 258.03839 152.7
[M]+ 237.06317 149.2
[M]- 237.06427 149.2
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