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

778
Patents

244.1423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 157.4
[M+Na]+ 267.131518 162.0
[M-H]- 243.135024 156.1
[M+NH4]+ 262.176123 171.4
[M+K]+ 283.105458 161.6
[M+H-H2O]+ 227.139560 150.7
[M+HCOO]- 289.140501 170.6
[M+CH3COO]- 303.156151 188.4
[M+Na-2H]- 265.116966 159.1
[M]+ 244.14175142 155.7
[M]- 244.14284858 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