CID 24711592

3-isocyanato-2,5-dimethylfuran

Structural Information

Molecular Formula
C7H7NO2
SMILES
CC1=CC(=C(O1)C)N=C=O
InChI
InChI=1S/C7H7NO2/c1-5-3-7(8-4-9)6(2)10-5/h3H,1-2H3
InChIKey
SHYUFFFDGFSRTM-UHFFFAOYSA-N
Compound name
3-isocyanato-2,5-dimethylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.04768 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 125.6
[M+Na]+ 160.03690 137.5
[M+NH4]+ 155.08150 133.9
[M+K]+ 176.01084 133.8
[M-H]- 136.04040 128.8
[M+Na-2H]- 158.02235 131.2
[M]+ 137.04713 128.0
[M]- 137.04823 128.0
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

No patent data available for this compound.