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]+ 156.065516 131.4
[M+Na]+ 178.047458 140.0
[M-H]- 154.050964 132.4
[M+NH4]+ 173.092063 150.3
[M+K]+ 194.021398 140.7
[M+H-H2O]+ 138.055500 120.2
[M+HCOO]- 200.056441 149.9
[M+CH3COO]- 214.072091 189.5
[M+Na-2H]- 176.032906 134.4
[M]+ 155.05769142 128.7
[M]- 155.05878858 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.