CID 420285

3-(1h-indazol-3-yl)propanoic acid

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC2=C(NN=C2C=C1)CCC(=O)O
InChI
InChI=1S/C10H10N2O2/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey
AHZCKNOSACXUJY-UHFFFAOYSA-N
Compound name
3-(2H-indazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

190.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 139.0
[M+Na]+ 213.063448 148.3
[M-H]- 189.066954 138.7
[M+NH4]+ 208.108053 157.4
[M+K]+ 229.037388 144.3
[M+H-H2O]+ 173.071490 132.3
[M+HCOO]- 235.072431 159.3
[M+CH3COO]- 249.088081 176.9
[M+Na-2H]- 211.048896 145.4
[M]+ 190.07368142 139.5
[M]- 190.07477858 139.5
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