CID 61276394

3-isocyanatooxolane

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1COCC1N=C=O
InChI
InChI=1S/C5H7NO2/c7-4-6-5-1-2-8-3-5/h5H,1-3H2
InChIKey
RJXSLLLKTBOEEA-UHFFFAOYSA-N
Compound name
3-isocyanatooxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

113.047676 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 118.9
[M+Na]+ 136.036894 126.0
[M-H]- 112.040400 124.2
[M+NH4]+ 131.081499 142.1
[M+K]+ 152.010834 127.3
[M+H-H2O]+ 96.044936 113.7
[M+HCOO]- 158.045877 145.0
[M+CH3COO]- 172.061527 169.0
[M+Na-2H]- 134.022342 126.8
[M]+ 113.04712742 118.2
[M]- 113.04822458 118.2
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