CID 165670338

Rac-(2r,6r)-4-[(tert-butoxy)carbonyl]-6-methoxymorpholine-2-carboxylic acid

Structural Information

Molecular Formula
C11H19NO6
SMILES
CC(C)(C)OC(=O)N1C[C@H](O[C@@H](C1)OC)C(=O)O
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-5-7(9(13)14)17-8(6-12)16-4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
InChIKey
UGCHZGRYQLBPFS-YUMQZZPRSA-N
Compound name
(2S,6S)-6-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.12125 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.128526 156.5
[M+Na]+ 284.110468 161.8
[M-H]- 260.113974 157.7
[M+NH4]+ 279.155073 170.1
[M+K]+ 300.084408 163.6
[M+H-H2O]+ 244.118510 150.6
[M+HCOO]- 306.119451 170.6
[M+CH3COO]- 320.135101 192.1
[M+Na-2H]- 282.095916 159.0
[M]+ 261.12070142 158.4
[M]- 261.12179858 158.4
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

No patent data available for this compound.