CID 345536

4-amino-2-methylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CC1=NC=C(C(=N1)N)C(=O)O
InChI
InChI=1S/C6H7N3O2/c1-3-8-2-4(6(10)11)5(7)9-3/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKey
BAHPFHNUYPSRBK-UHFFFAOYSA-N
Compound name
4-amino-2-methylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

153.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 129.7
[M+Na]+ 176.04305 139.0
[M-H]- 152.04655 129.7
[M+NH4]+ 171.08765 147.2
[M+K]+ 192.01699 137.1
[M+H-H2O]+ 136.05109 123.0
[M+HCOO]- 198.05203 151.2
[M+CH3COO]- 212.06768 175.7
[M+Na-2H]- 174.02850 135.6
[M]+ 153.05328 128.2
[M]- 153.05438 128.2
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

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