CID 68720737

Octahydropiperazino[2,1-c]morpholine-6,9-dione

Structural Information

Molecular Formula
C7H10N2O3
SMILES
C1COCC2N1C(=O)CNC2=O
InChI
InChI=1S/C7H10N2O3/c10-6-3-8-7(11)5-4-12-2-1-9(5)6/h5H,1-4H2,(H,8,11)
InChIKey
LVNJFKKREAKLHB-UHFFFAOYSA-N
Compound name
1,3,4,7,8,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

170.06914 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 134.2
[M+Na]+ 193.05836 140.7
[M-H]- 169.06186 134.4
[M+NH4]+ 188.10296 150.6
[M+K]+ 209.03230 139.6
[M+H-H2O]+ 153.06640 127.1
[M+HCOO]- 215.06734 147.9
[M+CH3COO]- 229.08299 174.3
[M+Na-2H]- 191.04381 140.4
[M]+ 170.06859 128.5
[M]- 170.06969 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe