CID 21471617

2-methyl-2-(pyrimidin-5-yl)propanoic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC(C)(C1=CN=CN=C1)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-8(2,7(11)12)6-3-9-5-10-4-6/h3-5H,1-2H3,(H,11,12)
InChIKey
LIUJZIMCBYIJIX-UHFFFAOYSA-N
Compound name
2-methyl-2-pyrimidin-5-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

166.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 134.7
[M+Na]+ 189.063448 142.5
[M-H]- 165.066954 134.4
[M+NH4]+ 184.108053 151.8
[M+K]+ 205.037388 141.0
[M+H-H2O]+ 149.071490 128.1
[M+HCOO]- 211.072431 153.5
[M+CH3COO]- 225.088081 175.3
[M+Na-2H]- 187.048896 142.5
[M]+ 166.07368142 134.4
[M]- 166.07477858 134.4
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

patents stripe