CID 135486369

2-(2-amino-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CC1=C(C(=O)NC(=N1)N)CC(=O)O
InChI
InChI=1S/C7H9N3O3/c1-3-4(2-5(11)12)6(13)10-7(8)9-3/h2H2,1H3,(H,11,12)(H3,8,9,10,13)
InChIKey
RJXQOURJIQZYIP-UHFFFAOYSA-N
Compound name
2-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

183.06439 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.071666 137.0
[M+Na]+ 206.053608 146.5
[M-H]- 182.057114 135.8
[M+NH4]+ 201.098213 152.7
[M+K]+ 222.027548 143.4
[M+H-H2O]+ 166.061650 130.4
[M+HCOO]- 228.062591 157.0
[M+CH3COO]- 242.078241 179.1
[M+Na-2H]- 204.039056 141.1
[M]+ 183.06384142 135.1
[M]- 183.06493858 135.1
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

patents stripe