CID 207586

2-(1h-indazol-5-yloxy)propanoic acid

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CC(C(=O)O)OC1=CC2=C(C=C1)NN=C2
InChI
InChI=1S/C10H10N2O3/c1-6(10(13)14)15-8-2-3-9-7(4-8)5-11-12-9/h2-6H,1H3,(H,11,12)(H,13,14)
InChIKey
KFIRILRWECRYOJ-UHFFFAOYSA-N
Compound name
2-(1H-indazol-5-yloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 142.0
[M+Na]+ 229.05836 150.9
[M-H]- 205.06186 141.9
[M+NH4]+ 224.10296 159.7
[M+K]+ 245.03230 148.0
[M+H-H2O]+ 189.06640 135.3
[M+HCOO]- 251.06734 161.6
[M+CH3COO]- 265.08299 179.9
[M+Na-2H]- 227.04381 147.3
[M]+ 206.06859 143.3
[M]- 206.06969 143.3
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.