CID 86306040

1807938-50-6

Structural Information

Molecular Formula
C11H19NO5
SMILES
C[C@@H]1[C@H](N(CCO1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-7-8(9(13)14)12(5-6-16-7)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1
InChIKey
XUJUXKBCUVWHIX-SFYZADRCSA-N
Compound name
(2R,3S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 154.2
[M+Na]+ 268.11555 159.7
[M-H]- 244.11905 155.4
[M+NH4]+ 263.16015 168.5
[M+K]+ 284.08949 160.8
[M+H-H2O]+ 228.12359 148.4
[M+HCOO]- 290.12453 168.1
[M+CH3COO]- 304.14018 189.9
[M+Na-2H]- 266.10100 156.4
[M]+ 245.12578 154.6
[M]- 245.12688 154.6
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