CID 69588176

1629586-23-7

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

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

InChI

InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7-/m1/s1

InChIKey

HWYDCYLRWDJCCH-RNFRBKRXSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 202.13174 Da
Monoisotopic Mass: -0.3
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]+	203.139016	146.6
[M+Na]+	225.120958	151.4
[M-H]-	201.124464	150.0
[M+NH4]+	220.165563	165.4
[M+K]+	241.094898	152.4
[M+H-H2O]+	185.129000	141.1
[M+HCOO]-	247.129941	167.6
[M+CH3COO]-	261.145591	187.0
[M+Na-2H]-	223.106406	150.2
[M]+	202.13119142	144.9
[M]-	202.13228858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe