CID 122679

O-carbamyl-d-serine

Structural Information

Molecular Formula
C4H8N2O4
SMILES
C([C@H](C(=O)O)N)OC(=O)N
InChI
InChI=1S/C4H8N2O4/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m1/s1
InChIKey
MYFVWSDZEBSNKM-UWTATZPHSA-N
Compound name
(2R)-2-amino-3-carbamoyloxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

225
Patents

148.0484 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05568 128.7
[M+Na]+ 171.03762 134.3
[M-H]- 147.04112 126.8
[M+NH4]+ 166.08222 147.6
[M+K]+ 187.01156 135.1
[M+H-H2O]+ 131.04566 123.2
[M+HCOO]- 193.04660 150.7
[M+CH3COO]- 207.06225 175.7
[M+Na-2H]- 169.02307 130.6
[M]+ 148.04785 125.8
[M]- 148.04895 125.8
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