CID 71758129

850789-22-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC1(CCN1C(=O)OC(C)(C)C)CO

InChI

InChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11-6-5-10(11,4)7-12/h12H,5-7H2,1-4H3

InChIKey

HDLNVUDUBFGJEM-UHFFFAOYSA-N

Compound name

tert-butyl 2-(hydroxymethyl)-2-methylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 201.13649 Da
Monoisotopic Mass: 0.8
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]+	202.14377	148.7
[M+Na]+	224.12571	154.2
[M-H]-	200.12921	149.7
[M+NH4]+	219.17031	161.8
[M+K]+	240.09965	156.9
[M+H-H2O]+	184.13375	139.6
[M+HCOO]-	246.13469	165.0
[M+CH3COO]-	260.15034	185.5
[M+Na-2H]-	222.11116	152.7
[M]+	201.13594	158.6
[M]-	201.13704	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe