CID 50999118

1049677-41-9

Structural Information

Molecular Formula

C₁₂H₂₃NO₄

SMILES

CC1(CN(C(CO1)CO)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-8-12(4,5)16-7-9(13)6-14/h9,14H,6-8H2,1-5H3

InChIKey

YOYWIKXSQOIMTP-UHFFFAOYSA-N

Compound name

tert-butyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 245.1627 Da
Monoisotopic Mass: 0.7
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]+	246.169976	156.4
[M+Na]+	268.151918	162.5
[M-H]-	244.155424	157.7
[M+NH4]+	263.196523	173.1
[M+K]+	284.125858	163.4
[M+H-H2O]+	228.159960	151.6
[M+HCOO]-	290.160901	170.6
[M+CH3COO]-	304.176551	190.1
[M+Na-2H]-	266.137366	160.6
[M]+	245.16215142	157.5
[M]-	245.16324858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe