CID 21489443

5-isocyanato-3,4-dihydro-2h-pyran

Structural Information

Molecular Formula

SMILES

C1CC(=COC1)N=C=O

InChI

InChI=1S/C6H7NO2/c8-5-7-6-2-1-3-9-4-6/h4H,1-3H2

InChIKey

SBAVWYCRGKODRE-UHFFFAOYSA-N

Compound name

5-isocyanato-3,4-dihydro-2H-pyran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 125.047676 Da
Monoisotopic Mass: 1.7
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]+	126.05495	123.1
[M+Na]+	148.03689	134.7
[M+NH4]+	143.08150	131.8
[M+K]+	164.01083	128.9
[M-H]-	124.04040	126.8
[M+Na-2H]-	146.02234	129.5
[M]+	125.04713	125.6
[M]-	125.04822	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe