CID 1514266

(s)-tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylate

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)N1CCOC[C@@H]1CO
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
AIQSXVGBMCJQAG-QMMMGPOBSA-N
Compound name
tert-butyl (3S)-3-(hydroxymethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

758
Patents

217.13141 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 149.8
[M+Na]+ 240.12063 154.8
[M-H]- 216.12413 150.7
[M+NH4]+ 235.16523 165.2
[M+K]+ 256.09457 155.7
[M+H-H2O]+ 200.12867 143.9
[M+HCOO]- 262.12961 164.6
[M+CH3COO]- 276.14526 183.2
[M+Na-2H]- 238.10608 154.1
[M]+ 217.13086 149.3
[M]- 217.13196 149.3
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