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

8
Patents

220.0484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 143.7
[M+Na]+ 243.037618 153.7
[M-H]- 219.041124 144.1
[M+NH4]+ 238.082223 161.0
[M+K]+ 259.011558 150.9
[M+H-H2O]+ 203.045660 137.3
[M+HCOO]- 265.046601 163.7
[M+CH3COO]- 279.062251 181.9
[M+Na-2H]- 241.023066 148.4
[M]+ 220.04785142 146.1
[M]- 220.04894858 146.1
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