CID 24843322

1,3-propanediol, dicarbamate

Structural Information

Molecular Formula

C₅H₁₀N₂O₄

SMILES

C(COC(=O)N)COC(=O)N

InChI

InChI=1S/C5H10N2O4/c6-4(8)10-2-1-3-11-5(7)9/h1-3H2,(H2,6,8)(H2,7,9)

InChIKey

OFHQHVCVSKOCCH-UHFFFAOYSA-N

Compound name

3-carbamoyloxypropyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 162.06406 Da
Monoisotopic Mass: -0.8
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]+	163.07134	133.0
[M+Na]+	185.05328	139.1
[M+NH4]+	180.09788	138.0
[M+K]+	201.02722	137.3
[M-H]-	161.05678	130.7
[M+Na-2H]-	183.03873	133.9
[M]+	162.06351	132.4
[M]-	162.06461	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe