CID 21753091

1-methyl-1h-indazole-6-carboxylic acid

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C=N1
InChI
InChI=1S/C9H8N2O2/c1-11-8-4-6(9(12)13)2-3-7(8)5-10-11/h2-5H,1H3,(H,12,13)
InChIKey
DNMTXRJELGPOGW-UHFFFAOYSA-N
Compound name
1-methylindazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

176.05858 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.6
[M+Na]+ 199.04780 144.8
[M-H]- 175.05130 135.4
[M+NH4]+ 194.09240 153.8
[M+K]+ 215.02174 141.9
[M+H-H2O]+ 159.05584 127.2
[M+HCOO]- 221.05678 155.9
[M+CH3COO]- 235.07243 177.6
[M+Na-2H]- 197.03325 140.4
[M]+ 176.05803 136.1
[M]- 176.05913 136.1
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