CID 71226059

(2r,5s)-4-(tert-butoxycarbonyl)-5-methylmorpholine-2-carboxylic acid

Structural Information

Molecular Formula
C11H19NO5
SMILES
C[C@H]1CO[C@H](CN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-7-6-16-8(9(13)14)5-12(7)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m0/s1
InChIKey
MTVXSGMUDRWQHZ-JGVFFNPUSA-N
Compound name
(2R,5S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

245.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 154.6
[M+Na]+ 268.11555 162.5
[M+NH4]+ 263.16015 159.1
[M+K]+ 284.08949 161.3
[M-H]- 244.11905 153.3
[M+Na-2H]- 266.10100 155.0
[M]+ 245.12578 154.9
[M]- 245.12688 154.9
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