CID 82019

7506-80-1

Structural Information

Molecular Formula

C₅H₁₁NO₄

SMILES

C(CO)NC(=O)OCCO

InChI

InChI=1S/C5H11NO4/c7-2-1-6-5(9)10-4-3-8/h7-8H,1-4H2,(H,6,9)

InChIKey

RUJZRPIQXVTWCD-UHFFFAOYSA-N

Compound name

2-hydroxyethyl N-(2-hydroxyethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 35
Patents: 149.0688 Da
Monoisotopic Mass: -1.4
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	130.1
[M+Na]+	172.05802	136.0
[M-H]-	148.06152	127.6
[M+NH4]+	167.10262	149.6
[M+K]+	188.03196	135.9
[M+H-H2O]+	132.06606	125.1
[M+HCOO]-	194.06700	152.3
[M+CH3COO]-	208.08265	170.4
[M+Na-2H]-	170.04347	135.5
[M]+	149.06825	130.6
[M]-	149.06935	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe