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 133.4
[M+Na]+ 178.04746 143.1
[M-H]- 154.05096 139.7
[M+NH4]+ 173.09206 151.8
[M+K]+ 194.02140 142.6
[M+H-H2O]+ 138.05550 128.5
[M+HCOO]- 200.05644 159.4
[M+CH3COO]- 214.07209 181.7
[M+Na-2H]- 176.03291 140.9
[M]+ 155.05769 139.1
[M]- 155.05879 139.1
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.