CID 70980298

1403902-78-2

Structural Information

Molecular Formula
C16H31N3O3
SMILES
C[C@@H]1CN[C@H](CN1C(=O)OC(C)(C)C)CN2CCOC[C@H]2C
InChI
InChI=1S/C16H31N3O3/c1-12-8-17-14(9-18-6-7-21-11-13(18)2)10-19(12)15(20)22-16(3,4)5/h12-14,17H,6-11H2,1-5H3/t12-,13-,14+/m1/s1
InChIKey
MHFZTCDOQUNOMX-MCIONIFRSA-N
Compound name
tert-butyl (2R,5S)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

313.23654 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.243816 182.2
[M+Na]+ 336.225758 184.8
[M-H]- 312.229264 182.5
[M+NH4]+ 331.270363 190.8
[M+K]+ 352.199698 183.4
[M+H-H2O]+ 296.233800 173.2
[M+HCOO]- 358.234741 189.0
[M+CH3COO]- 372.250391 204.3
[M+Na-2H]- 334.211206 181.0
[M]+ 313.23599142 177.2
[M]- 313.23708858 177.2
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