CID 69037692

797804-53-6

Structural Information

Molecular Formula
C10H8N2O4
SMILES
COC(=O)C1=CC2=C(C=C1)NN=C2C(=O)O
InChI
InChI=1S/C10H8N2O4/c1-16-10(15)5-2-3-7-6(4-5)8(9(13)14)12-11-7/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKey
LJJGPVJOUUPTSR-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.0484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05568 145.0
[M+Na]+ 243.03762 156.2
[M+NH4]+ 238.08222 150.5
[M+K]+ 259.01156 154.6
[M-H]- 219.04112 143.2
[M+Na-2H]- 241.02307 148.5
[M]+ 220.04785 145.6
[M]- 220.04895 145.6
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