CID 3050432

Procymate

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CCC(C1CCCCC1)OC(=O)N

InChI

InChI=1S/C10H19NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H2,11,12)

InChIKey

IGISNRIWPJVXDB-UHFFFAOYSA-N

Compound name

1-cyclohexylpropyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 185.14159 Da
Monoisotopic Mass: 2.9
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]+	186.14887	144.6
[M+Na]+	208.13081	147.4
[M-H]-	184.13431	146.4
[M+NH4]+	203.17541	163.3
[M+K]+	224.10475	146.9
[M+H-H2O]+	168.13885	138.4
[M+HCOO]-	230.13979	163.5
[M+CH3COO]-	244.15544	183.9
[M+Na-2H]-	206.11626	145.9
[M]+	185.14104	139.6
[M]-	185.14214	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe