CID 67609999

Lithium(1+) 4-cyanopyrimidine-2-carboxylate

Structural Information

Molecular Formula
C6H3N3O2
SMILES
C1=CN=C(N=C1C#N)C(=O)O
InChI
InChI=1S/C6H3N3O2/c7-3-4-1-2-8-5(9-4)6(10)11/h1-2H,(H,10,11)
InChIKey
JBOMLAHHZYFYDE-UHFFFAOYSA-N
Compound name
4-cyanopyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

149.02252 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.02980 126.8
[M+Na]+ 172.01174 137.0
[M-H]- 148.01524 126.2
[M+NH4]+ 167.05634 142.4
[M+K]+ 187.98568 135.3
[M+H-H2O]+ 132.01978 113.2
[M+HCOO]- 194.02072 144.2
[M+CH3COO]- 208.03637 184.7
[M+Na-2H]- 169.99719 133.6
[M]+ 149.02197 121.2
[M]- 149.02307 121.2
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