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

30
Patents

316.16342 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17070 171.1
[M+Na]+ 339.15264 174.6
[M-H]- 315.15614 171.0
[M+NH4]+ 334.19724 182.7
[M+K]+ 355.12658 176.1
[M+H-H2O]+ 299.16068 164.0
[M+HCOO]- 361.16162 183.7
[M+CH3COO]- 375.17727 204.5
[M+Na-2H]- 337.13809 170.4
[M]+ 316.16287 173.5
[M]- 316.16397 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