CID 206765

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

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC(C)(C(=O)O)OC1=CC2=C(C=C1)NN=C2
InChI
InChI=1S/C11H12N2O3/c1-11(2,10(14)15)16-8-3-4-9-7(5-8)6-12-13-9/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChIKey
DUEHBTSRNCSREX-UHFFFAOYSA-N
Compound name
2-(1H-indazol-5-yloxy)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 147.7
[M+Na]+ 243.07402 156.8
[M-H]- 219.07752 147.6
[M+NH4]+ 238.11862 164.9
[M+K]+ 259.04796 153.6
[M+H-H2O]+ 203.08206 141.4
[M+HCOO]- 265.08300 166.2
[M+CH3COO]- 279.09865 182.4
[M+Na-2H]- 241.05947 154.4
[M]+ 220.08425 149.4
[M]- 220.08535 149.4
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.