CID 218955

41416-61-9

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

C#CC(C1CCCCC1)OC(=O)N

InChI

InChI=1S/C10H15NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h1,8-9H,3-7H2,(H2,11,12)

InChIKey

SZRPREBYFLNHLL-UHFFFAOYSA-N

Compound name

1-cyclohexylprop-2-ynyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.11028 Da
Monoisotopic Mass: 2.1
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]+	182.11756	144.1
[M+Na]+	204.09950	152.2
[M+NH4]+	199.14410	148.0
[M+K]+	220.07344	144.6
[M-H]-	180.10300	137.1
[M+Na-2H]-	202.08495	144.5
[M]+	181.10973	142.1
[M]-	181.11083	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.