CID 3156772

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

Structural Information

Molecular Formula
C6H7N3O2
SMILES
CC1=NC(=NC=C1C(=O)O)N
InChI
InChI=1S/C6H7N3O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKey
DUWNUQBBVGEJPV-UHFFFAOYSA-N
Compound name
2-amino-4-methylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

153.05383 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 129.7
[M+Na]+ 176.043048 139.0
[M-H]- 152.046554 129.7
[M+NH4]+ 171.087653 147.2
[M+K]+ 192.016988 137.1
[M+H-H2O]+ 136.051090 123.0
[M+HCOO]- 198.052031 151.2
[M+CH3COO]- 212.067681 175.7
[M+Na-2H]- 174.028496 135.6
[M]+ 153.05328142 128.2
[M]- 153.05437858 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

patents stripe