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

560
Patents

330.17908 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18636 175.1
[M+Na]+ 353.16830 179.3
[M-H]- 329.17180 174.2
[M+NH4]+ 348.21290 186.0
[M+K]+ 369.14224 179.9
[M+H-H2O]+ 313.17634 169.1
[M+HCOO]- 375.17728 185.3
[M+CH3COO]- 389.19293 205.3
[M+Na-2H]- 351.15375 175.2
[M]+ 330.17853 176.4
[M]- 330.17963 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