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]+ 170.044776 131.5
[M+Na]+ 192.026718 140.1
[M-H]- 168.030224 135.3
[M+NH4]+ 187.071323 148.6
[M+K]+ 208.000658 141.1
[M+H-H2O]+ 152.034760 119.5
[M+HCOO]- 214.035701 148.7
[M+CH3COO]- 228.051351 187.3
[M+Na-2H]- 190.012166 136.2
[M]+ 169.03695142 127.5
[M]- 169.03804858 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.