CID 741704

2-((4,6-dimethylpyrimidin-2-yl)amino)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CC1=CC(=NC(=N1)NC(C)(C)C(=O)O)C
InChI
InChI=1S/C10H15N3O2/c1-6-5-7(2)12-9(11-6)13-10(3,4)8(14)15/h5H,1-4H3,(H,14,15)(H,11,12,13)
InChIKey
FJGGQSQOYIRBGE-UHFFFAOYSA-N
Compound name
2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

209.11642 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 147.7
[M+Na]+ 232.10564 155.7
[M-H]- 208.10914 147.9
[M+NH4]+ 227.15024 163.3
[M+K]+ 248.07958 153.6
[M+H-H2O]+ 192.11368 140.9
[M+HCOO]- 254.11462 166.9
[M+CH3COO]- 268.13027 188.8
[M+Na-2H]- 230.09109 153.4
[M]+ 209.11587 148.2
[M]- 209.11697 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.