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

15
Patents

205.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 143.1
[M+Na]+ 228.06312 152.0
[M-H]- 204.06662 144.1
[M+NH4]+ 223.10772 162.6
[M+K]+ 244.03706 148.2
[M+H-H2O]+ 188.07116 137.8
[M+HCOO]- 250.07210 161.9
[M+CH3COO]- 264.08775 181.4
[M+Na-2H]- 226.04857 145.8
[M]+ 205.07335 142.1
[M]- 205.07445 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