CID 21489443

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

Structural Information

Molecular Formula
C6H7NO2
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 121.0
[M+Na]+ 148.036894 127.9
[M-H]- 124.040400 126.5
[M+NH4]+ 143.081499 142.1
[M+K]+ 164.010834 128.9
[M+H-H2O]+ 108.044936 115.3
[M+HCOO]- 170.045877 146.2
[M+CH3COO]- 184.061527 171.9
[M+Na-2H]- 146.022342 130.8
[M]+ 125.04712742 120.2
[M]- 125.04822458 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe