CID 44721398

885272-25-3

Structural Information

Molecular Formula
C11H11NO4
SMILES
COC1=CC2=C(C=C1)NC(=O)C2CC(=O)O
InChI
InChI=1S/C11H11NO4/c1-16-6-2-3-9-7(4-6)8(5-10(13)14)11(15)12-9/h2-4,8H,5H2,1H3,(H,12,15)(H,13,14)
InChIKey
KUMQZWGBZRNGQO-UHFFFAOYSA-N
Compound name
2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

221.0688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 145.7
[M+Na]+ 244.05802 154.4
[M-H]- 220.06152 146.7
[M+NH4]+ 239.10262 164.5
[M+K]+ 260.03196 151.3
[M+H-H2O]+ 204.06606 140.2
[M+HCOO]- 266.06700 164.7
[M+CH3COO]- 280.08265 183.7
[M+Na-2H]- 242.04347 148.6
[M]+ 221.06825 146.2
[M]- 221.06935 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

No literature data available for this compound.

Patent stripe

patents stripe