CID 139023953

1699470-30-8

Structural Information

Molecular Formula
C10H10N4O2
SMILES
CC1=CN=C(N=C1C(=O)O)C2=NN(C=C2)C
InChI
InChI=1S/C10H10N4O2/c1-6-5-11-9(12-8(6)10(15)16)7-3-4-14(2)13-7/h3-5H,1-2H3,(H,15,16)
InChIKey
XSUXLXMTJANBKT-UHFFFAOYSA-N
Compound name
5-methyl-2-(1-methylpyrazol-3-yl)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08037 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08765 147.0
[M+Na]+ 241.06959 157.6
[M-H]- 217.07309 148.3
[M+NH4]+ 236.11419 161.4
[M+K]+ 257.04353 154.2
[M+H-H2O]+ 201.07763 138.2
[M+HCOO]- 263.07857 166.3
[M+CH3COO]- 277.09422 186.1
[M+Na-2H]- 239.05504 150.6
[M]+ 218.07982 148.4
[M]- 218.08092 148.4
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.