CID 11255979

181955-79-3

Structural Information

Molecular Formula
C15H26N2O6
SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)
InChIKey
IIZGWFQKLVCLLA-UHFFFAOYSA-N
Compound name
1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

330.17908 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.186356 175.1
[M+Na]+ 353.168298 179.3
[M-H]- 329.171804 174.2
[M+NH4]+ 348.212903 186.0
[M+K]+ 369.142238 179.9
[M+H-H2O]+ 313.176340 169.1
[M+HCOO]- 375.177281 185.3
[M+CH3COO]- 389.192931 205.3
[M+Na-2H]- 351.153746 175.2
[M]+ 330.17853142 176.4
[M]- 330.17962858 176.4
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