CID 68310116

1400589-80-1

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC1(CN(C[C@H](O1)CO)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-6-9(7-14)16-12(4,5)8-13/h9,14H,6-8H2,1-5H3/t9-/m0/s1
InChIKey
KKFSVQAEKAPAJT-VIFPVBQESA-N
Compound name
tert-butyl (6S)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

245.1627 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 156.9
[M+Na]+ 268.15192 165.5
[M+NH4]+ 263.19652 163.7
[M+K]+ 284.12586 161.1
[M-H]- 244.15542 156.5
[M+Na-2H]- 266.13737 159.6
[M]+ 245.16215 157.9
[M]- 245.16325 157.9
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