CID 1519383

(2s)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid

Structural Information

Molecular Formula
C10H17NO5
SMILES
CC(C)(C)OC(=O)N1CCO[C@@H](C1)C(=O)O
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKey
LGWMTRPJZFEWCX-ZETCQYMHSA-N
Compound name
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1351
Patents

231.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11795 150.3
[M+Na]+ 254.09989 155.2
[M-H]- 230.10339 151.3
[M+NH4]+ 249.14449 164.8
[M+K]+ 270.07383 156.6
[M+H-H2O]+ 214.10793 144.4
[M+HCOO]- 276.10887 164.5
[M+CH3COO]- 290.12452 185.5
[M+Na-2H]- 252.08534 153.6
[M]+ 231.11012 149.9
[M]- 231.11122 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe