CID 95257

1,2-ethanediol, dicarbamate

Structural Information

Molecular Formula

C₄H₈N₂O₄

SMILES

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

InChI

InChI=1S/C4H8N2O4/c5-3(7)9-1-2-10-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)

InChIKey

FONCADNOZFBHIB-UHFFFAOYSA-N

Compound name

2-carbamoyloxyethyl carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 319
Patents: 148.0484 Da
Monoisotopic Mass: -1.1
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]+	149.05568	127.6
[M+Na]+	171.03762	134.0
[M-H]-	147.04112	127.2
[M+NH4]+	166.08222	147.5
[M+K]+	187.01156	135.1
[M+H-H2O]+	131.04566	122.0
[M+HCOO]-	193.04660	152.2
[M+CH3COO]-	207.06225	176.4
[M+Na-2H]-	169.02307	131.5
[M]+	148.04785	127.3
[M]-	148.04895	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe