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

64
Patents

190.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 139.0
[M+Na]+ 213.06345 148.3
[M-H]- 189.06695 138.7
[M+NH4]+ 208.10805 157.4
[M+K]+ 229.03739 144.3
[M+H-H2O]+ 173.07149 132.3
[M+HCOO]- 235.07243 159.3
[M+CH3COO]- 249.08808 176.9
[M+Na-2H]- 211.04890 145.4
[M]+ 190.07368 139.5
[M]- 190.07478 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