CID 14033762

57061-18-4

Structural Information

Molecular Formula
C11H11NO4
SMILES
COC(=O)CC1(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C11H11NO4/c1-16-9(13)6-11(15)7-4-2-3-5-8(7)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)
InChIKey
BHWUWPHGCCRYBU-UHFFFAOYSA-N
Compound name
methyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

221.0688 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 146.2
[M+Na]+ 244.05802 155.1
[M-H]- 220.06152 147.2
[M+NH4]+ 239.10262 166.8
[M+K]+ 260.03196 152.0
[M+H-H2O]+ 204.06606 141.2
[M+HCOO]- 266.06700 165.2
[M+CH3COO]- 280.08265 181.3
[M+Na-2H]- 242.04347 150.9
[M]+ 221.06825 146.5
[M]- 221.06935 146.5
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

patents stripe