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]+ 152.070596 129.1
[M+Na]+ 174.052538 145.3
[M-H]- 150.056044 136.2
[M+NH4]+ 169.097143 147.7
[M+K]+ 190.026478 140.4
[M+H-H2O]+ 134.060580 121.3
[M+HCOO]- 196.061521 150.6
[M+CH3COO]- 210.077171 191.6
[M+Na-2H]- 172.037986 136.6
[M]+ 151.06277142 130.5
[M]- 151.06386858 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.