CID 68813330

Tert-butyl 2-(2-hydroxyethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCC1CCO

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(11)5-7-12/h8,12H,4-7H2,1-3H3

InChIKey

OOQJCNOHZAGBFN-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-hydroxyethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 201.13649 Da
Monoisotopic Mass: 1.0
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]+	202.143766	148.1
[M+Na]+	224.125708	152.8
[M-H]-	200.129214	148.7
[M+NH4]+	219.170313	159.2
[M+K]+	240.099648	155.4
[M+H-H2O]+	184.133750	137.4
[M+HCOO]-	246.134691	164.4
[M+CH3COO]-	260.150341	185.9
[M+Na-2H]-	222.111156	150.9
[M]+	201.13594142	157.7
[M]-	201.13703858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe