CID 55271675

1,3-dimethyl-1h-indazole-6-carboxylic acid

Structural Information

Molecular Formula
C10H10N2O2
SMILES
CC1=NN(C2=C1C=CC(=C2)C(=O)O)C
InChI
InChI=1S/C10H10N2O2/c1-6-8-4-3-7(10(13)14)5-9(8)12(2)11-6/h3-5H,1-2H3,(H,13,14)
InChIKey
CPLFRBGIKHNEKO-UHFFFAOYSA-N
Compound name
1,3-dimethylindazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

190.07423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.1
[M+Na]+ 213.06345 149.8
[M-H]- 189.06695 140.1
[M+NH4]+ 208.10805 158.0
[M+K]+ 229.03739 146.6
[M+H-H2O]+ 173.07149 131.9
[M+HCOO]- 235.07243 160.0
[M+CH3COO]- 249.08808 181.8
[M+Na-2H]- 211.04890 143.6
[M]+ 190.07368 141.3
[M]- 190.07478 141.3
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