CID 206957

Dtxsid80951581

Structural Information

Molecular Formula
C5H9N3O2
SMILES
C1CN=C(NC1C(=O)O)N
InChI
InChI=1S/C5H9N3O2/c6-5-7-2-1-3(8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)
InChIKey
WTOIKBZVZXPOIR-UHFFFAOYSA-N
Compound name
2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

759
Patents

143.06947 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.076746 129.4
[M+Na]+ 166.058688 135.7
[M-H]- 142.062194 127.0
[M+NH4]+ 161.103293 146.1
[M+K]+ 182.032628 133.6
[M+H-H2O]+ 126.066730 122.8
[M+HCOO]- 188.067671 146.8
[M+CH3COO]- 202.083321 169.8
[M+Na-2H]- 164.044136 134.1
[M]+ 143.06892142 122.4
[M]- 143.07001858 122.4
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