CID 61701860

4-cyclopropyl-2-(4h-1,2,4-triazol-3-yl)pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C10H9N5O2
SMILES
C1CC1C2=NC(=NC=C2C(=O)O)C3=NC=NN3
InChI
InChI=1S/C10H9N5O2/c16-10(17)6-3-11-8(9-12-4-13-15-9)14-7(6)5-1-2-5/h3-5H,1-2H2,(H,16,17)(H,12,13,15)
InChIKey
LSEBMVBQPHBBBA-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.07562 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08290 161.8
[M+Na]+ 254.06484 172.9
[M-H]- 230.06834 163.7
[M+NH4]+ 249.10944 168.5
[M+K]+ 270.03878 165.8
[M+H-H2O]+ 214.07288 152.2
[M+HCOO]- 276.07382 178.8
[M+CH3COO]- 290.08947 171.6
[M+Na-2H]- 252.05029 164.6
[M]+ 231.07507 162.1
[M]- 231.07617 162.1
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.