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]+ 237.12337 157.3
[M+Na]+ 259.10531 166.3
[M-H]- 235.10881 160.9
[M+NH4]+ 254.14991 167.1
[M+K]+ 275.07925 162.5
[M+H-H2O]+ 219.11335 149.2
[M+HCOO]- 281.11429 176.2
[M+CH3COO]- 295.12994 193.8
[M+Na-2H]- 257.09076 159.7
[M]+ 236.11554 161.5
[M]- 236.11664 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.