CID 85538

16672-66-5

Structural Information

Molecular Formula

C₅H₁₁NO₄

SMILES

COCCOC(=O)NCO

InChI

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

InChIKey

JXVHGKLCTWBYLV-UHFFFAOYSA-N

Compound name

2-methoxyethyl N-(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.0688 Da
Monoisotopic Mass: -0.8
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]+	150.07608	129.4
[M+Na]+	172.05802	135.8
[M-H]-	148.06152	128.4
[M+NH4]+	167.10262	149.7
[M+K]+	188.03196	136.6
[M+H-H2O]+	132.06606	124.3
[M+HCOO]-	194.06700	153.2
[M+CH3COO]-	208.08265	172.9
[M+Na-2H]-	170.04347	135.5
[M]+	149.06825	131.9
[M]-	149.06935	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.