CID 23595252

4-isocyanato-2,3-dihydrofuran

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1COC=C1N=C=O
InChI
InChI=1S/C5H5NO2/c7-4-6-5-1-2-8-3-5/h3H,1-2H2
InChIKey
KYTBSRDVUVYEMT-UHFFFAOYSA-N
Compound name
4-isocyanato-2,3-dihydrofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

111.03203 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.039306 116.9
[M+Na]+ 134.021248 125.0
[M-H]- 110.024754 122.6
[M+NH4]+ 129.065853 140.3
[M+K]+ 149.995188 126.1
[M+H-H2O]+ 94.029290 111.7
[M+HCOO]- 156.030231 144.4
[M+CH3COO]- 170.045881 168.6
[M+Na-2H]- 132.006696 125.8
[M]+ 111.03148142 117.7
[M]- 111.03257858 117.7
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