CID 41166

54744-67-1

Structural Information

Molecular Formula
C11H8N2O3
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)C(C#N)C(=O)O
InChI
InChI=1S/C11H8N2O3/c12-5-7(11(15)16)9-6-3-1-2-4-8(6)13-10(9)14/h1-4,7,9H,(H,13,14)(H,15,16)
InChIKey
DQGDHSNPSSYJGU-UHFFFAOYSA-N
Compound name
2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

216.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06078 148.4
[M+Na]+ 239.04272 157.7
[M+NH4]+ 234.08732 151.4
[M+K]+ 255.01666 152.1
[M-H]- 215.04622 140.2
[M+Na-2H]- 237.02817 148.4
[M]+ 216.05295 146.2
[M]- 216.05405 146.2
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.