CID 82419002

3-isocyanatooxetane

Structural Information

Molecular Formula
C4H5NO2
SMILES
C1C(CO1)N=C=O
InChI
InChI=1S/C4H5NO2/c6-3-5-4-1-7-2-4/h4H,1-2H2
InChIKey
QQWZMVOASAQEEO-UHFFFAOYSA-N
Compound name
3-isocyanatooxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.03203 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.03931 116.4
[M+Na]+ 122.02125 122.7
[M+NH4]+ 117.06585 120.8
[M+K]+ 137.99519 119.9
[M-H]- 98.024754 116.4
[M+Na-2H]- 120.00670 119.4
[M]+ 99.031481 115.9
[M]- 99.032579 115.9
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.