CID 107297

Cyclo(alanylglycyl)

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CC1C(=O)NCC(=O)N1
InChI
InChI=1S/C5H8N2O2/c1-3-5(9)6-2-4(8)7-3/h3H,2H2,1H3,(H,6,9)(H,7,8)
InChIKey
ICCHEGCKVBMSTF-UHFFFAOYSA-N
Compound name
3-methylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

90
Patents

128.05858 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 125.8
[M+Na]+ 151.047798 133.5
[M-H]- 127.051304 123.9
[M+NH4]+ 146.092403 143.9
[M+K]+ 167.021738 131.0
[M+H-H2O]+ 111.055840 119.9
[M+HCOO]- 173.056781 142.5
[M+CH3COO]- 187.072431 165.1
[M+Na-2H]- 149.033246 130.6
[M]+ 128.05803142 119.5
[M]- 128.05912858 119.5
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