CID 62084523

5-(cyclopropylmethoxy)-2-(propan-2-yl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC(C)C1=NC=C(C(=N1)C(=O)O)OCC2CC2
InChI
InChI=1S/C12H16N2O3/c1-7(2)11-13-5-9(10(14-11)12(15)16)17-6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,15,16)
InChIKey
ZMJOZSVMDQVGFM-UHFFFAOYSA-N
Compound name
5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 157.3
[M+Na]+ 259.105308 166.3
[M-H]- 235.108814 160.9
[M+NH4]+ 254.149913 167.1
[M+K]+ 275.079248 162.5
[M+H-H2O]+ 219.113350 149.2
[M+HCOO]- 281.114291 176.2
[M+CH3COO]- 295.129941 193.8
[M+Na-2H]- 257.090756 159.7
[M]+ 236.11554142 161.5
[M]- 236.11663858 161.5
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.