CID 23126223

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

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CN1C2=CC=CC=C2C(=N1)CC(=O)O
InChI
InChI=1S/C10H10N2O2/c1-12-9-5-3-2-4-7(9)8(11-12)6-10(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey
YEXWKCLXINFBDI-UHFFFAOYSA-N
Compound name
2-(1-methylindazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

190.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 138.4
[M+Na]+ 213.063448 149.1
[M-H]- 189.066954 139.9
[M+NH4]+ 208.108053 157.9
[M+K]+ 229.037388 145.9
[M+H-H2O]+ 173.071490 131.7
[M+HCOO]- 235.072431 160.2
[M+CH3COO]- 249.088081 180.6
[M+Na-2H]- 211.048896 144.5
[M]+ 190.07368142 141.1
[M]- 190.07477858 141.1
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