CID 65334243

1493751-21-5

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC1=NC(=NC=C1C(=O)O)C2CCOCC2
InChI
InChI=1S/C11H14N2O3/c1-7-9(11(14)15)6-12-10(13-7)8-2-4-16-5-3-8/h6,8H,2-5H2,1H3,(H,14,15)
InChIKey
ZZQHHXLPKNJWJV-UHFFFAOYSA-N
Compound name
4-methyl-2-(oxan-4-yl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 149.2
[M+Na]+ 245.08967 155.5
[M-H]- 221.09317 152.1
[M+NH4]+ 240.13427 162.4
[M+K]+ 261.06361 154.1
[M+H-H2O]+ 205.09771 140.8
[M+HCOO]- 267.09865 165.0
[M+CH3COO]- 281.11430 185.5
[M+Na-2H]- 243.07512 153.5
[M]+ 222.09990 146.5
[M]- 222.10100 146.5
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.