CID 90317136

N-t-boc-(2r)-hydroxymethyl-(5r)-methylmorpholine

Structural Information

Molecular Formula
C11H21NO4
SMILES
C[C@@H]1CO[C@H](CN1C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C11H21NO4/c1-8-7-15-9(6-13)5-12(8)10(14)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKey
QGEFRGPCFOEDNF-RKDXNWHRSA-N
Compound name
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

231.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 153.9
[M+Na]+ 254.13628 159.5
[M-H]- 230.13978 155.0
[M+NH4]+ 249.18088 169.1
[M+K]+ 270.11022 160.1
[M+H-H2O]+ 214.14432 148.1
[M+HCOO]- 276.14526 168.3
[M+CH3COO]- 290.16091 187.5
[M+Na-2H]- 252.12173 157.0
[M]+ 231.14651 154.1
[M]- 231.14761 154.1
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