CID 61269025

2094145-48-7

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCC1=NC(=C(C(=N1)C)CC(=O)O)C
InChI
InChI=1S/C10H14N2O2/c1-4-9-11-6(2)8(5-10(13)14)7(3)12-9/h4-5H2,1-3H3,(H,13,14)
InChIKey
SZBKXQTZUBLOHE-UHFFFAOYSA-N
Compound name
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 142.3
[M+Na]+ 217.09475 151.8
[M-H]- 193.09825 142.6
[M+NH4]+ 212.13935 159.2
[M+K]+ 233.06869 149.4
[M+H-H2O]+ 177.10279 135.6
[M+HCOO]- 239.10373 162.1
[M+CH3COO]- 253.11938 184.6
[M+Na-2H]- 215.08020 146.3
[M]+ 194.10498 144.5
[M]- 194.10608 144.5
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.