CID 82522

2-hydroxyethyl bis(hydroxymethyl)carbamate

Structural Information

Molecular Formula

C₅H₁₁NO₅

SMILES

C(COC(=O)N(CO)CO)O

InChI

InChI=1S/C5H11NO5/c7-1-2-11-5(10)6(3-8)4-9/h7-9H,1-4H2

InChIKey

NFZKOWUWFGTZQQ-UHFFFAOYSA-N

Compound name

2-hydroxyethyl N,N-bis(hydroxymethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 165.06372 Da
Monoisotopic Mass: -1.7
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]+	166.07100	133.4
[M+Na]+	188.05294	139.7
[M+NH4]+	183.09754	138.2
[M+K]+	204.02688	138.2
[M-H]-	164.05644	129.8
[M+Na-2H]-	186.03839	133.9
[M]+	165.06317	132.5
[M]-	165.06427	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe