CID 61737805

Tert-butyl morpholine-2-carboxylate

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(C)(C)OC(=O)C1CNCCO1

InChI

InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)7-6-10-4-5-12-7/h7,10H,4-6H2,1-3H3

InChIKey

CIVVMBFFZUTYIR-UHFFFAOYSA-N

Compound name

tert-butyl morpholine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 187.12085 Da
Monoisotopic Mass: 0.4
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]+	188.128126	142.8
[M+Na]+	210.110068	147.3
[M-H]-	186.113574	143.4
[M+NH4]+	205.154673	159.0
[M+K]+	226.084008	147.8
[M+H-H2O]+	170.118110	136.9
[M+HCOO]-	232.119051	157.6
[M+CH3COO]-	246.134701	177.5
[M+Na-2H]-	208.095516	148.0
[M]+	187.12030142	140.0
[M]-	187.12139858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe