CID 6045897

21728-28-9

Structural Information

Molecular Formula
C12H11NO3
SMILES
CCOC(=O)/C=C\1/C2=CC=CC=C2NC1=O
InChI
InChI=1S/C12H11NO3/c1-2-16-11(14)7-9-8-5-3-4-6-10(8)13-12(9)15/h3-7H,2H2,1H3,(H,13,15)/b9-7-
InChIKey
DBCJWPPQXWNERC-CLFYSBASSA-N
Compound name
ethyl (2Z)-2-(2-oxo-1H-indol-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

217.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 146.8
[M+Na]+ 240.063118 155.2
[M-H]- 216.066624 148.8
[M+NH4]+ 235.107723 166.3
[M+K]+ 256.037058 151.5
[M+H-H2O]+ 200.071160 140.8
[M+HCOO]- 262.072101 167.0
[M+CH3COO]- 276.087751 183.5
[M+Na-2H]- 238.048566 150.1
[M]+ 217.07335142 146.7
[M]- 217.07444858 146.7
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