CID 76846262

1360943-07-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.05383 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06111 143.3
[M+Na]+ 224.04305 155.4
[M-H]- 200.04655 143.6
[M+NH4]+ 219.08765 159.9
[M+K]+ 240.01699 150.7
[M+H-H2O]+ 184.05109 129.4
[M+HCOO]- 246.05203 161.3
[M+CH3COO]- 260.06768 193.4
[M+Na-2H]- 222.02850 148.6
[M]+ 201.05328 140.1
[M]- 201.05438 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

No patent data available for this compound.