CID 120079

2-hydroxypropyl (2-hydroxyethyl)carbamate

Structural Information

Molecular Formula

C₆H₁₃NO₄

SMILES

CC(COC(=O)NCCO)O

InChI

InChI=1S/C6H13NO4/c1-5(9)4-11-6(10)7-2-3-8/h5,8-9H,2-4H2,1H3,(H,7,10)

InChIKey

DUTMJVGIIHKQFS-UHFFFAOYSA-N

Compound name

2-hydroxypropyl N-(2-hydroxyethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 163.08446 Da
Monoisotopic Mass: -1.0
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]+	164.09174	135.0
[M+Na]+	186.07368	141.6
[M+NH4]+	181.11828	140.2
[M+K]+	202.04762	139.3
[M-H]-	162.07718	131.9
[M+Na-2H]-	184.05913	135.7
[M]+	163.08391	134.4
[M]-	163.08501	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe