CID 4962452

2-[3-(methoxycarbonyl)-1h-indol-1-yl]acetic acid

Structural Information

Molecular Formula
C12H11NO4
SMILES
COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C12H11NO4/c1-17-12(16)9-6-13(7-11(14)15)10-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H,14,15)
InChIKey
RVDJXYPBINWDMV-UHFFFAOYSA-N
Compound name
2-(3-methoxycarbonylindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 149.0
[M+Na]+ 256.05802 160.6
[M+NH4]+ 251.10262 155.5
[M+K]+ 272.03196 158.0
[M-H]- 232.06152 148.5
[M+Na-2H]- 254.04347 153.2
[M]+ 233.06825 150.2
[M]- 233.06935 150.2
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

No patent data available for this compound.