CID 91828168

1427175-15-2

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC1(CO[C@H](CN1C(=O)OC(C)(C)C)CO)C
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-6-9(7-14)16-8-12(13,4)5/h9,14H,6-8H2,1-5H3/t9-/m1/s1
InChIKey
AHBGXKGISVQPDU-SECBINFHSA-N
Compound name
tert-butyl (2R)-2-(hydroxymethyl)-5,5-dimethylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 156.4
[M+Na]+ 268.15192 162.5
[M-H]- 244.15542 157.7
[M+NH4]+ 263.19652 173.1
[M+K]+ 284.12586 163.4
[M+H-H2O]+ 228.15996 151.6
[M+HCOO]- 290.16090 170.6
[M+CH3COO]- 304.17655 190.1
[M+Na-2H]- 266.13737 160.6
[M]+ 245.16215 157.5
[M]- 245.16325 157.5
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