CID 165599458

2171960-09-9

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)N1CC(C1)(CO)C2(CNC2)O

InChI

InChI=1S/C12H22N2O4/c1-10(2,3)18-9(16)14-6-11(7-14,8-15)12(17)4-13-5-12/h13,15,17H,4-8H2,1-3H3

InChIKey

GHEBWPCCPQKOOE-UHFFFAOYSA-N

Compound name

tert-butyl 3-(3-hydroxyazetidin-3-yl)-3-(hydroxymethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.15796 Da
Monoisotopic Mass: -0.6
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]+	259.165236	166.1
[M+Na]+	281.147178	168.1
[M-H]-	257.150684	165.7
[M+NH4]+	276.191783	168.9
[M+K]+	297.121118	172.1
[M+H-H2O]+	241.155220	152.8
[M+HCOO]-	303.156161	175.1
[M+CH3COO]-	317.171811	198.0
[M+Na-2H]-	279.132626	168.1
[M]+	258.15741142	180.0
[M]-	258.15850858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.