CID 170917392

Refchem:893111

Structural Information

Molecular Formula

C₉H₁₆O₄

SMILES

CC(C)(C)OC(=O)C1(COC1)CO

InChI

InChI=1S/C9H16O4/c1-8(2,3)13-7(11)9(4-10)5-12-6-9/h10H,4-6H2,1-3H3

InChIKey

QTZLYXATCSMJSH-UHFFFAOYSA-N

Compound name

tert-butyl 3-(hydroxymethyl)oxetane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.10486 Da
Monoisotopic Mass: -0.2
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]+	189.112136	139.7
[M+Na]+	211.094078	144.6
[M-H]-	187.097584	142.6
[M+NH4]+	206.138683	153.0
[M+K]+	227.068018	149.0
[M+H-H2O]+	171.102120	131.3
[M+HCOO]-	233.103061	157.0
[M+CH3COO]-	247.118711	181.5
[M+Na-2H]-	209.079526	146.4
[M]+	188.10431142	150.6
[M]-	188.10540858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.