CID 7408485

Cyclo(-gly-ser)

Structural Information

Molecular Formula
C5H8N2O3
SMILES
C1C(=O)N[C@H](C(=O)N1)CO
InChI
InChI=1S/C5H8N2O3/c8-2-3-5(10)6-1-4(9)7-3/h3,8H,1-2H2,(H,6,10)(H,7,9)/t3-/m0/s1
InChIKey
MOWMPSYJSYTSSM-VKHMYHEASA-N
Compound name
(3S)-3-(hydroxymethyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

144.0535 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.06078 129.5
[M+Na]+ 167.04272 136.6
[M-H]- 143.04622 126.1
[M+NH4]+ 162.08732 146.1
[M+K]+ 183.01666 133.7
[M+H-H2O]+ 127.05076 123.5
[M+HCOO]- 189.05170 144.8
[M+CH3COO]- 203.06735 164.9
[M+Na-2H]- 165.02817 133.7
[M]+ 144.05295 122.7
[M]- 144.05405 122.7
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