CID 22458573

171504-98-6

Structural Information

Molecular Formula
C16H28N2O6
SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)OC)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28N2O6/c1-15(2,3)23-13(20)17-8-9-18(11(10-17)12(19)22-7)14(21)24-16(4,5)6/h11H,8-10H2,1-7H3
InChIKey
QKNSGUCCNZBAAJ-UHFFFAOYSA-N
Compound name
1-O,4-O-ditert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

344.19473 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20201 178.9
[M+Na]+ 367.18395 183.2
[M-H]- 343.18745 179.2
[M+NH4]+ 362.22855 190.1
[M+K]+ 383.15789 184.4
[M+H-H2O]+ 327.19199 172.5
[M+HCOO]- 389.19293 190.3
[M+CH3COO]- 403.20858 209.9
[M+Na-2H]- 365.16940 179.1
[M]+ 344.19418 182.4
[M]- 344.19528 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe