CID 61737229

Lithium(1+) 4-(dimethylcarbamoyl)morpholine-2-carboxylate

Structural Information

Molecular Formula

C₈H₁₄N₂O₄

SMILES

CN(C)C(=O)N1CCOC(C1)C(=O)O

InChI

InChI=1S/C8H14N2O4/c1-9(2)8(13)10-3-4-14-6(5-10)7(11)12/h6H,3-5H2,1-2H3,(H,11,12)

InChIKey

ADCRXVREMBSFFK-UHFFFAOYSA-N

Compound name

4-(dimethylcarbamoyl)morpholine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.09535 Da
Monoisotopic Mass: -1.0
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]+	203.102626	143.6
[M+Na]+	225.084568	148.3
[M-H]-	201.088074	146.1
[M+NH4]+	220.129173	159.5
[M+K]+	241.058508	150.4
[M+H-H2O]+	185.092610	136.8
[M+HCOO]-	247.093551	161.3
[M+CH3COO]-	261.109201	186.1
[M+Na-2H]-	223.070016	146.4
[M]+	202.09480142	142.0
[M]-	202.09589858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.