CID 14178921

Methyl (hydroxymethyl)(methoxymethyl)-carbamate

Structural Information

Molecular Formula

C₅H₁₁NO₄

SMILES

COCN(CO)C(=O)OC

InChI

InChI=1S/C5H11NO4/c1-9-4-6(3-7)5(8)10-2/h7H,3-4H2,1-2H3

InChIKey

QNYFBSABYYASCB-UHFFFAOYSA-N

Compound name

methyl N-(hydroxymethyl)-N-(methoxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.0688 Da
Monoisotopic Mass: -0.5
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]+	150.076076	129.3
[M+Na]+	172.058018	135.9
[M-H]-	148.061524	129.8
[M+NH4]+	167.102623	150.3
[M+K]+	188.031958	138.1
[M+H-H2O]+	132.066060	124.1
[M+HCOO]-	194.067001	153.6
[M+CH3COO]-	208.082651	176.4
[M+Na-2H]-	170.043466	134.6
[M]+	149.06825142	133.0
[M]-	149.06934858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.