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]+ 237.12337 153.9
[M+Na]+ 259.10531 160.5
[M+NH4]+ 254.14991 156.0
[M+K]+ 275.07925 158.2
[M-H]- 235.10881 151.7
[M+Na-2H]- 257.09076 156.2
[M]+ 236.11554 152.7
[M]- 236.11664 152.7
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.