CID 185742

O-ureido-l-serine zwitterion

Structural Information

Molecular Formula
C4H9N3O4
SMILES
C([C@H](C(=O)O)N)ONC(=O)N
InChI
InChI=1S/C4H9N3O4/c5-2(3(8)9)1-11-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1
InChIKey
ZFLDWYJOQSXISF-UWTATZPHSA-N
Compound name
(2R)-2-amino-3-(carbamoylamino)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

4
Patents

163.05931 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.06659 131.6
[M+Na]+ 186.04853 136.3
[M-H]- 162.05203 129.7
[M+NH4]+ 181.09313 149.5
[M+K]+ 202.02247 137.2
[M+H-H2O]+ 146.05657 125.5
[M+HCOO]- 208.05751 154.6
[M+CH3COO]- 222.07316 181.1
[M+Na-2H]- 184.03398 133.8
[M]+ 163.05876 127.9
[M]- 163.05986 127.9
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