CID 45090092

88326-59-4

Structural Information

Molecular Formula
C8H9NO2
SMILES
COC(=O)C1(CC1C=C)C#N
InChI
InChI=1S/C8H9NO2/c1-3-6-4-8(6,5-9)7(10)11-2/h3,6H,1,4H2,2H3
InChIKey
GSLOQSICLLNPJE-UHFFFAOYSA-N
Compound name
methyl 1-cyano-2-ethenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 129.1
[M+Na]+ 174.05254 145.3
[M-H]- 150.05604 136.2
[M+NH4]+ 169.09714 147.7
[M+K]+ 190.02648 140.4
[M+H-H2O]+ 134.06058 121.3
[M+HCOO]- 196.06152 150.6
[M+CH3COO]- 210.07717 191.6
[M+Na-2H]- 172.03799 136.6
[M]+ 151.06277 130.5
[M]- 151.06387 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.