CID 10240915

185444-92-2

Structural Information

Molecular Formula
C5H9N3O2
SMILES
C1C(CN=C(N1)N)C(=O)O
InChI
InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)
InChIKey
PZWMQJZDDYQYGN-UHFFFAOYSA-N
Compound name
2-amino-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

143.06947 Da
Monoisotopic Mass

-1.8
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

literature stripe

Patent stripe

patents stripe