CID 11231

Dolcental

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

C#CC1(CCCCC1)OC(=O)NC(=O)N

InChI

InChI=1S/C10H14N2O3/c1-2-10(6-4-3-5-7-10)15-9(14)12-8(11)13/h1H,3-7H2,(H3,11,12,13,14)

InChIKey

CQVLNDZXTPGTFD-UHFFFAOYSA-N

Compound name

(1-ethynylcyclohexyl) N-carbamoylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.10045 Da
Monoisotopic Mass: 1.4
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]+	211.10773	150.7
[M+Na]+	233.08967	157.2
[M-H]-	209.09317	151.8
[M+NH4]+	228.13427	167.9
[M+K]+	249.06361	154.3
[M+H-H2O]+	193.09771	139.4
[M+HCOO]-	255.09865	165.6
[M+CH3COO]-	269.11430	194.3
[M+Na-2H]-	231.07512	152.7
[M]+	210.09990	140.4
[M]-	210.10100	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe