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: 6
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	132.9
[M+Na]+	188.05294	138.5
[M-H]-	164.05644	130.4
[M+NH4]+	183.09754	151.6
[M+K]+	204.02688	139.4
[M+H-H2O]+	148.06098	127.7
[M+HCOO]-	210.06192	154.3
[M+CH3COO]-	224.07757	173.5
[M+Na-2H]-	186.03839	137.1
[M]+	165.06317	134.1
[M]-	165.06427	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe