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 153.5
[M+Na]+ 259.10531 158.6
[M-H]- 235.10881 155.8
[M+NH4]+ 254.14991 161.2
[M+K]+ 275.07925 160.1
[M+H-H2O]+ 219.11335 140.0
[M+HCOO]- 281.11429 169.8
[M+CH3COO]- 295.12994 193.7
[M+Na-2H]- 257.09076 155.2
[M]+ 236.11554 162.2
[M]- 236.11664 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.