CID 14639223

2-amino-4-ethylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CCC1=NC(=NC=C1C(=O)O)N
InChI
InChI=1S/C7H9N3O2/c1-2-5-4(6(11)12)3-9-7(8)10-5/h3H,2H2,1H3,(H,11,12)(H2,8,9,10)
InChIKey
LUWFYFMJFQBYFG-UHFFFAOYSA-N
Compound name
2-amino-4-ethylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 134.2
[M+Na]+ 190.05869 143.1
[M-H]- 166.06219 134.1
[M+NH4]+ 185.10329 151.2
[M+K]+ 206.03263 140.9
[M+H-H2O]+ 150.06673 127.3
[M+HCOO]- 212.06767 155.4
[M+CH3COO]- 226.08332 178.7
[M+Na-2H]- 188.04414 139.7
[M]+ 167.06892 133.1
[M]- 167.07002 133.1
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

No patent data available for this compound.