CID 167511695

3,3-dimethyl-2-oxoindoline-7-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC1(C2=CC=CC(=C2NC1=O)C(=O)O)C
InChI
InChI=1S/C11H11NO3/c1-11(2)7-5-3-4-6(9(13)14)8(7)12-10(11)15/h3-5H,1-2H3,(H,12,15)(H,13,14)
InChIKey
NXKNFRNELICGTJ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-oxo-1H-indole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.4
[M+Na]+ 228.06312 152.4
[M-H]- 204.06662 143.8
[M+NH4]+ 223.10772 164.0
[M+K]+ 244.03706 148.7
[M+H-H2O]+ 188.07116 137.9
[M+HCOO]- 250.07210 161.2
[M+CH3COO]- 264.08775 181.0
[M+Na-2H]- 226.04857 146.4
[M]+ 205.07335 141.8
[M]- 205.07445 141.8
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

No patent data available for this compound.