CID 45032987

915923-70-5

Structural Information

Molecular Formula
C12H13NO3
SMILES
CC1=CC(=C2C(=C1)C(C(=O)N2)CC(=O)O)C
InChI
InChI=1S/C12H13NO3/c1-6-3-7(2)11-8(4-6)9(5-10(14)15)12(16)13-11/h3-4,9H,5H2,1-2H3,(H,13,16)(H,14,15)
InChIKey
CNUJKDOYWVLLOR-UHFFFAOYSA-N
Compound name
2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 147.3
[M+Na]+ 242.07876 156.7
[M-H]- 218.08226 148.6
[M+NH4]+ 237.12336 166.6
[M+K]+ 258.05270 152.7
[M+H-H2O]+ 202.08680 142.2
[M+HCOO]- 264.08774 165.7
[M+CH3COO]- 278.10339 185.8
[M+Na-2H]- 240.06421 148.9
[M]+ 219.08899 147.1
[M]- 219.09009 147.1
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.