CID 71742836

Methyl 2,2-dimethylmorpholine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CC1(C(NCCO1)C(=O)OC)C

InChI

InChI=1S/C8H15NO3/c1-8(2)6(7(10)11-3)9-4-5-12-8/h6,9H,4-5H2,1-3H3

InChIKey

FBQQWBKDLPDDNM-UHFFFAOYSA-N

Compound name

methyl 2,2-dimethylmorpholine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.1052 Da
Monoisotopic Mass: 0.0
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]+	174.11248	137.1
[M+Na]+	196.09442	143.4
[M-H]-	172.09792	138.4
[M+NH4]+	191.13902	156.1
[M+K]+	212.06836	144.1
[M+H-H2O]+	156.10246	131.9
[M+HCOO]-	218.10340	153.8
[M+CH3COO]-	232.11905	175.5
[M+Na-2H]-	194.07987	142.7
[M]+	173.10465	135.3
[M]-	173.10575	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe