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

1
Patents

155.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 133.4
[M+Na]+ 178.047458 143.1
[M-H]- 154.050964 139.7
[M+NH4]+ 173.092063 151.8
[M+K]+ 194.021398 142.6
[M+H-H2O]+ 138.055500 128.5
[M+HCOO]- 200.056441 159.4
[M+CH3COO]- 214.072091 181.7
[M+Na-2H]- 176.032906 140.9
[M]+ 155.05769142 139.1
[M]- 155.05878858 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

patents stripe