CID 53408636

Methyl 6-cyano-1h-indazole-3-carboxylate

Structural Information

Molecular Formula
C10H7N3O2
SMILES
COC(=O)C1=NNC2=C1C=CC(=C2)C#N
InChI
InChI=1S/C10H7N3O2/c1-15-10(14)9-7-3-2-6(5-11)4-8(7)12-13-9/h2-4H,1H3,(H,12,13)
InChIKey
VDOGUWNGTCDAER-UHFFFAOYSA-N
Compound name
methyl 6-cyano-1H-indazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

201.05383 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.061106 143.3
[M+Na]+ 224.043048 155.4
[M-H]- 200.046554 143.6
[M+NH4]+ 219.087653 159.9
[M+K]+ 240.016988 150.7
[M+H-H2O]+ 184.051090 129.4
[M+HCOO]- 246.052031 161.3
[M+CH3COO]- 260.067681 193.4
[M+Na-2H]- 222.028496 148.6
[M]+ 201.05328142 140.1
[M]- 201.05437858 140.1
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