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 131.5
[M+Na]+ 192.02672 140.1
[M-H]- 168.03022 135.3
[M+NH4]+ 187.07132 148.6
[M+K]+ 208.00066 141.1
[M+H-H2O]+ 152.03476 119.5
[M+HCOO]- 214.03570 148.7
[M+CH3COO]- 228.05135 187.3
[M+Na-2H]- 190.01217 136.2
[M]+ 169.03695 127.5
[M]- 169.03805 127.5
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.