CID 45791296

959241-55-5

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC1=CC2=C(C=C1)C(C(=O)N2)CC(=O)O
InChI
InChI=1S/C11H11NO3/c1-6-2-3-7-8(5-10(13)14)11(15)12-9(7)4-6/h2-4,8H,5H2,1H3,(H,12,15)(H,13,14)
InChIKey
KKDSTULRLHTHJN-UHFFFAOYSA-N
Compound name
2-(6-methyl-2-oxo-1,3-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

205.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 143.1
[M+Na]+ 228.063118 152.0
[M-H]- 204.066624 144.1
[M+NH4]+ 223.107723 162.6
[M+K]+ 244.037058 148.2
[M+H-H2O]+ 188.071160 137.8
[M+HCOO]- 250.072101 161.9
[M+CH3COO]- 264.087751 181.4
[M+Na-2H]- 226.048566 145.8
[M]+ 205.07335142 142.1
[M]- 205.07444858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe