CID 12252435

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

176.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.8
[M+Na]+ 199.04780 144.0
[M-H]- 175.05130 135.1
[M+NH4]+ 194.09240 153.5
[M+K]+ 215.02174 141.1
[M+H-H2O]+ 159.05584 127.0
[M+HCOO]- 221.05678 156.0
[M+CH3COO]- 235.07243 176.4
[M+Na-2H]- 197.03325 141.2
[M]+ 176.05803 135.8
[M]- 176.05913 135.8
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