CID 12470263

2-(1h-indazol-3-yl)acetic acid

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC2=C(NN=C2C=C1)CC(=O)O
InChI
InChI=1S/C9H8N2O2/c12-9(13)5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey
JEEDFPVACIKHEU-UHFFFAOYSA-N
Compound name
2-(2H-indazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

176.05858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.3
[M+Na]+ 199.04780 144.1
[M-H]- 175.05130 134.3
[M+NH4]+ 194.09240 153.4
[M+K]+ 215.02174 140.3
[M+H-H2O]+ 159.05584 127.9
[M+HCOO]- 221.05678 155.0
[M+CH3COO]- 235.07243 173.9
[M+Na-2H]- 197.03325 141.3
[M]+ 176.05803 134.5
[M]- 176.05913 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe