CID 84672987

52208-59-0

Structural Information

Molecular Formula
C11H11NO3
SMILES
CN1C=CC2=C1C=CC(=C2)OCC(=O)O
InChI
InChI=1S/C11H11NO3/c1-12-5-4-8-6-9(2-3-10(8)12)15-7-11(13)14/h2-6H,7H2,1H3,(H,13,14)
InChIKey
OIZMFFLXWDVMOQ-UHFFFAOYSA-N
Compound name
2-(1-methylindol-5-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 141.4
[M+Na]+ 228.06312 151.5
[M-H]- 204.06662 144.2
[M+NH4]+ 223.10772 161.6
[M+K]+ 244.03706 148.8
[M+H-H2O]+ 188.07116 135.4
[M+HCOO]- 250.07210 164.4
[M+CH3COO]- 264.08775 182.9
[M+Na-2H]- 226.04857 147.2
[M]+ 205.07335 145.4
[M]- 205.07445 145.4
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.