CID 21812683

Methyl 2-cyano-2-(1,3-dioxolan-2-ylidene)acetate

Structural Information

Molecular Formula
C7H7NO4
SMILES
COC(=O)C(=C1OCCO1)C#N
InChI
InChI=1S/C7H7NO4/c1-10-6(9)5(4-8)7-11-2-3-12-7/h2-3H2,1H3
InChIKey
RYSQZTWXZAZOHZ-UHFFFAOYSA-N
Compound name
methyl 2-cyano-2-(1,3-dioxolan-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0375 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04478 136.5
[M+Na]+ 192.02672 144.9
[M+NH4]+ 187.07132 139.6
[M+K]+ 208.00066 140.6
[M-H]- 168.03022 130.6
[M+Na-2H]- 190.01217 136.0
[M]+ 169.03695 134.8
[M]- 169.03805 134.8
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.