CID 57848692

554450-77-0

Structural Information

Molecular Formula
C14H24N2O6
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C14H24N2O6/c1-14(2,3)22-13(19)16-8-6-15(7-9-16)10(11(17)20-4)12(18)21-5/h10H,6-9H2,1-5H3
InChIKey
CMUQXGMHZNUZMU-UHFFFAOYSA-N
Compound name
dimethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

316.16342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.170696 171.1
[M+Na]+ 339.152638 174.6
[M-H]- 315.156144 171.0
[M+NH4]+ 334.197243 182.7
[M+K]+ 355.126578 176.1
[M+H-H2O]+ 299.160680 164.0
[M+HCOO]- 361.161621 183.7
[M+CH3COO]- 375.177271 204.5
[M+Na-2H]- 337.138086 170.4
[M]+ 316.16287142 173.5
[M]- 316.16396858 173.5
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