CID 120078

2-hydroxyethyl (2-(2-hydroxyethoxy)ethyl)carbamate

Structural Information

Molecular Formula

C₇H₁₅NO₅

SMILES

C(COCCO)NC(=O)OCCO

InChI

InChI=1S/C7H15NO5/c9-2-5-12-4-1-8-7(11)13-6-3-10/h9-10H,1-6H2,(H,8,11)

InChIKey

AHVZTTFUKJBHRJ-UHFFFAOYSA-N

Compound name

2-hydroxyethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.09502 Da
Monoisotopic Mass: -1.6
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]+	194.102296	141.2
[M+Na]+	216.084238	146.1
[M-H]-	192.087744	138.3
[M+NH4]+	211.128843	158.8
[M+K]+	232.058178	146.0
[M+H-H2O]+	176.092280	135.5
[M+HCOO]-	238.093221	163.0
[M+CH3COO]-	252.108871	178.7
[M+Na-2H]-	214.069686	145.7
[M]+	193.09447142	143.9
[M]-	193.09556858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe