CID 146155140

2416230-19-6

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N1CCC1(CO)CO

InChI

InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-5-4-10(11,6-12)7-13/h12-13H,4-7H2,1-3H3

InChIKey

QNLUOMBJHPRBQJ-UHFFFAOYSA-N

Compound name

tert-butyl 2,2-bis(hydroxymethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.13141 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]+	218.138686	152.9
[M+Na]+	240.120628	157.7
[M-H]-	216.124134	152.3
[M+NH4]+	235.165233	164.4
[M+K]+	256.094568	160.1
[M+H-H2O]+	200.128670	143.6
[M+HCOO]-	262.129611	167.8
[M+CH3COO]-	276.145261	185.1
[M+Na-2H]-	238.106076	156.4
[M]+	217.13086142	162.3
[M]-	217.13195858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe