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

16
Patents

166.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.7
[M+Na]+ 189.06345 142.5
[M-H]- 165.06695 134.4
[M+NH4]+ 184.10805 151.8
[M+K]+ 205.03739 141.0
[M+H-H2O]+ 149.07149 128.1
[M+HCOO]- 211.07243 153.5
[M+CH3COO]- 225.08808 175.3
[M+Na-2H]- 187.04890 142.5
[M]+ 166.07368 134.4
[M]- 166.07478 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