CID 1501855

314741-39-4

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCN[C@@H](C1)C(=O)OC
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m0/s1
InChIKey
QUKAHFCVKNRRBU-QMMMGPOBSA-N
Compound name
1-O-tert-butyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

803
Patents

244.1423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 157.4
[M+Na]+ 267.13152 162.0
[M-H]- 243.13502 156.1
[M+NH4]+ 262.17612 171.4
[M+K]+ 283.10546 161.6
[M+H-H2O]+ 227.13956 150.7
[M+HCOO]- 289.14050 170.6
[M+CH3COO]- 303.15615 188.4
[M+Na-2H]- 265.11697 159.1
[M]+ 244.14175 155.6
[M]- 244.14285 155.7
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