CID 62116822

1457497-47-0

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC(C)C1=NC=C(C(=N1)C(=O)O)OC2CCC2
InChI
InChI=1S/C12H16N2O3/c1-7(2)11-13-6-9(10(14-11)12(15)16)17-8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKey
NFEHJNHIFHFLDO-UHFFFAOYSA-N
Compound name
5-cyclobutyloxy-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 153.5
[M+Na]+ 259.105308 158.6
[M-H]- 235.108814 155.8
[M+NH4]+ 254.149913 161.2
[M+K]+ 275.079248 160.1
[M+H-H2O]+ 219.113350 140.0
[M+HCOO]- 281.114291 169.8
[M+CH3COO]- 295.129941 193.7
[M+Na-2H]- 257.090756 155.2
[M]+ 236.11554142 162.2
[M]- 236.11663858 162.2
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

No patent data available for this compound.