CID 69264154

Oxan-4-yl carbamate

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1COCCC1OC(=O)N

InChI

InChI=1S/C6H11NO3/c7-6(8)10-5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)

InChIKey

FMCPHGPMGDIHMK-UHFFFAOYSA-N

Compound name

oxan-4-yl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 145.0739 Da
Monoisotopic Mass: 0.0
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]+	146.08118	129.0
[M+Na]+	168.06312	133.7
[M-H]-	144.06662	132.1
[M+NH4]+	163.10772	148.1
[M+K]+	184.03706	135.1
[M+H-H2O]+	128.07116	123.2
[M+HCOO]-	190.07210	149.5
[M+CH3COO]-	204.08775	172.9
[M+Na-2H]-	166.04857	134.8
[M]+	145.07335	125.2
[M]-	145.07445	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe