CID 22234

1,3-bis(carbamoyloxy)butane

Structural Information

Molecular Formula

C₆H₁₂N₂O₄

SMILES

CC(CCOC(=O)N)OC(=O)N

InChI

InChI=1S/C6H12N2O4/c1-4(12-6(8)10)2-3-11-5(7)9/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)

InChIKey

ZNAVBUIWPSAZNF-UHFFFAOYSA-N

Compound name

3-carbamoyloxybutyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.07971 Da
Monoisotopic Mass: -0.3
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]+	177.08699	137.6
[M+Na]+	199.06893	142.9
[M-H]-	175.07243	136.8
[M+NH4]+	194.11353	156.3
[M+K]+	215.04287	144.0
[M+H-H2O]+	159.07697	131.6
[M+HCOO]-	221.07791	160.5
[M+CH3COO]-	235.09356	183.4
[M+Na-2H]-	197.05438	139.0
[M]+	176.07916	137.3
[M]-	176.08026	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe