CID 29928

Dtxsid60942073

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CN=CC=C1C(=O)OCC2=CN=CN2
InChI
InChI=1S/C10H9N3O2/c14-10(8-1-3-11-4-2-8)15-6-9-5-12-7-13-9/h1-5,7H,6H2,(H,12,13)
InChIKey
GQRDYWDBECSTTE-UHFFFAOYSA-N
Compound name
1H-imidazol-5-ylmethyl pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 142.2
[M+Na]+ 226.058688 149.9
[M-H]- 202.062194 143.6
[M+NH4]+ 221.103293 157.7
[M+K]+ 242.032628 146.9
[M+H-H2O]+ 186.066730 133.2
[M+HCOO]- 248.067671 162.8
[M+CH3COO]- 262.083321 179.0
[M+Na-2H]- 224.044136 148.1
[M]+ 203.06892142 141.7
[M]- 203.07001858 141.7
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.