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 131.4
[M+Na]+ 178.04746 140.0
[M-H]- 154.05096 132.4
[M+NH4]+ 173.09206 150.3
[M+K]+ 194.02140 140.7
[M+H-H2O]+ 138.05550 120.2
[M+HCOO]- 200.05644 149.9
[M+CH3COO]- 214.07209 189.5
[M+Na-2H]- 176.03291 134.4
[M]+ 155.05769 128.7
[M]- 155.05879 128.7
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.