CID 1512537

783350-37-8

Structural Information

Molecular Formula

C₁₀H₁₇NO₅

SMILES

CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)O

InChI

InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1

InChIKey

KVXXEKIGMOEPSA-ZETCQYMHSA-N

Compound name

(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1146
Patents: 231.11067 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.117946	150.3
[M+Na]+	254.099888	155.2
[M-H]-	230.103394	151.3
[M+NH4]+	249.144493	164.8
[M+K]+	270.073828	156.6
[M+H-H2O]+	214.107930	144.4
[M+HCOO]-	276.108871	164.5
[M+CH3COO]-	290.124521	185.5
[M+Na-2H]-	252.085336	153.6
[M]+	231.11012142	149.9
[M]-	231.11121858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe