CID 53875937

Ethyl 1-isocyanatocyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H9NO3
SMILES
CCOC(=O)C1(CC1)N=C=O
InChI
InChI=1S/C7H9NO3/c1-2-11-6(10)7(3-4-7)8-5-9/h2-4H2,1H3
InChIKey
HGKJXRXWSXDXEG-UHFFFAOYSA-N
Compound name
ethyl 1-isocyanatocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 134.7
[M+Na]+ 178.04746 145.6
[M+NH4]+ 173.09206 143.6
[M+K]+ 194.02140 140.6
[M-H]- 154.05096 142.0
[M+Na-2H]- 176.03291 143.0
[M]+ 155.05769 139.3
[M]- 155.05879 139.3
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.