CID 21521582

2-acetamidopyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C7H7N3O3
SMILES
CC(=O)NC1=NC=C(C=N1)C(=O)O
InChI
InChI=1S/C7H7N3O3/c1-4(11)10-7-8-2-5(3-9-7)6(12)13/h2-3H,1H3,(H,12,13)(H,8,9,10,11)
InChIKey
XMYMLRFZYLBRCU-UHFFFAOYSA-N
Compound name
2-acetamidopyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.04874 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05602 135.5
[M+Na]+ 204.03796 143.4
[M-H]- 180.04146 135.7
[M+NH4]+ 199.08256 151.7
[M+K]+ 220.01190 142.1
[M+H-H2O]+ 164.04600 128.3
[M+HCOO]- 226.04694 156.8
[M+CH3COO]- 240.06259 179.7
[M+Na-2H]- 202.02341 141.6
[M]+ 181.04819 135.0
[M]- 181.04929 135.0
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