CID 3060523

1,2-propanediol, dicarbamate

Structural Information

Molecular Formula

C₅H₁₀N₂O₄

SMILES

CC(COC(=O)N)OC(=O)N

InChI

InChI=1S/C5H10N2O4/c1-3(11-5(7)9)2-10-4(6)8/h3H,2H2,1H3,(H2,6,8)(H2,7,9)

InChIKey

JPXZMWMLOYASFU-UHFFFAOYSA-N

Compound name

2-carbamoyloxypropyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 162.06406 Da
Monoisotopic Mass: -0.7
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]+	163.071336	132.9
[M+Na]+	185.053278	138.7
[M-H]-	161.056784	132.4
[M+NH4]+	180.097883	152.2
[M+K]+	201.027218	140.1
[M+H-H2O]+	145.061320	127.2
[M+HCOO]-	207.062261	156.2
[M+CH3COO]-	221.077911	180.4
[M+Na-2H]-	183.038726	134.9
[M]+	162.06351142	132.3
[M]-	162.06460858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe