CID 73863

1477-49-2

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)
InChIKey
DWLVFWDCSFTDOD-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

584
Patents

189.04259 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 136.7
[M+Na]+ 212.03181 145.9
[M-H]- 188.03531 138.1
[M+NH4]+ 207.07641 156.4
[M+K]+ 228.00575 142.5
[M+H-H2O]+ 172.03985 131.1
[M+HCOO]- 234.04079 157.8
[M+CH3COO]- 248.05644 176.3
[M+Na-2H]- 210.01726 142.1
[M]+ 189.04204 136.8
[M]- 189.04314 136.8
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