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

62
Patents

313.23654 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.24382 182.2
[M+Na]+ 336.22576 184.8
[M-H]- 312.22926 182.5
[M+NH4]+ 331.27036 190.8
[M+K]+ 352.19970 183.4
[M+H-H2O]+ 296.23380 173.2
[M+HCOO]- 358.23474 189.0
[M+CH3COO]- 372.25039 204.3
[M+Na-2H]- 334.21121 181.0
[M]+ 313.23599 177.2
[M]- 313.23709 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