CID 11159439

3-[(methoxycarbonyl)oxy]-2-methylidenebutanenitrile

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC(C(=C)C#N)OC(=O)OC
InChI
InChI=1S/C7H9NO3/c1-5(4-8)6(2)11-7(9)10-3/h6H,1H2,2-3H3
InChIKey
UFIUXQFAGXJEBJ-UHFFFAOYSA-N
Compound name
3-cyanobut-3-en-2-yl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 132.2
[M+Na]+ 178.04746 140.8
[M+NH4]+ 173.09206 135.2
[M+K]+ 194.02140 134.6
[M-H]- 154.05096 123.1
[M+Na-2H]- 176.03291 132.2
[M]+ 155.05769 129.6
[M]- 155.05879 129.6
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.