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

47
Patents

113.047676 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 118.9
[M+Na]+ 136.03689 126.0
[M-H]- 112.04040 124.2
[M+NH4]+ 131.08150 142.1
[M+K]+ 152.01083 127.3
[M+H-H2O]+ 96.044936 113.7
[M+HCOO]- 158.04588 145.0
[M+CH3COO]- 172.06153 169.0
[M+Na-2H]- 134.02234 126.8
[M]+ 113.04713 118.2
[M]- 113.04822 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