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

4
Patents

245.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 154.2
[M+Na]+ 268.115548 159.7
[M-H]- 244.119054 155.4
[M+NH4]+ 263.160153 168.5
[M+K]+ 284.089488 160.8
[M+H-H2O]+ 228.123590 148.4
[M+HCOO]- 290.124531 168.1
[M+CH3COO]- 304.140181 189.9
[M+Na-2H]- 266.100996 156.4
[M]+ 245.12578142 154.6
[M]- 245.12687858 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