CID 68826975

445480-33-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

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

InChI

InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-7-4-5-14-6-8(7)12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m1/s1

InChIKey

KWKVNKDJIRDXRH-HTQZYQBOSA-N

Compound name

tert-butyl N-[(3S,4R)-3-hydroxyoxan-4-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 217.13141 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]+	218.138686	149.4
[M+Na]+	240.120628	153.5
[M-H]-	216.124134	151.6
[M+NH4]+	235.165233	165.7
[M+K]+	256.094568	154.4
[M+H-H2O]+	200.128670	143.9
[M+HCOO]-	262.129611	166.4
[M+CH3COO]-	276.145261	185.6
[M+Na-2H]-	238.106076	154.0
[M]+	217.13086142	147.5
[M]-	217.13195858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe