CID 15958513

(2z)-2-hydroxy-2-(1-methyl-2-oxo-indolin-3-ylidene)acetic acid

Structural Information

Molecular Formula
C11H9NO4
SMILES
CN1C2=CC=CC=C2C(=C1O)C(=O)C(=O)O
InChI
InChI=1S/C11H9NO4/c1-12-7-5-3-2-4-6(7)8(10(12)14)9(13)11(15)16/h2-5,14H,1H3,(H,15,16)
InChIKey
SEHMETSQNUDLGK-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-1-methylindol-3-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 143.3
[M+Na]+ 242.04238 153.7
[M-H]- 218.04588 145.2
[M+NH4]+ 237.08698 162.2
[M+K]+ 258.01632 150.7
[M+H-H2O]+ 202.05042 137.9
[M+HCOO]- 264.05136 164.1
[M+CH3COO]- 278.06701 184.0
[M+Na-2H]- 240.02783 146.8
[M]+ 219.05261 146.0
[M]- 219.05371 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.