CID 57960413

Tert-butyl 3-methylmorpholine-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

CC1COCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO3/c1-8-7-13-6-5-11(8)9(12)14-10(2,3)4/h8H,5-7H2,1-4H3

InChIKey

LSDUBIYDVJGIQH-UHFFFAOYSA-N

Compound name

tert-butyl 3-methylmorpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 201.13649 Da
Monoisotopic Mass: 1.2
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]+	202.143766	146.1
[M+Na]+	224.125708	151.7
[M-H]-	200.129214	148.5
[M+NH4]+	219.170313	163.0
[M+K]+	240.099648	153.0
[M+H-H2O]+	184.133750	140.2
[M+HCOO]-	246.134691	162.2
[M+CH3COO]-	260.150341	183.6
[M+Na-2H]-	222.111156	150.8
[M]+	201.13594142	146.0
[M]-	201.13703858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe