CID 95118

Diethyl 2-methylenemalonate

Structural Information

Molecular Formula
C8H12O4
SMILES
CCOC(=O)C(=C)C(=O)OCC
InChI
InChI=1S/C8H12O4/c1-4-11-7(9)6(3)8(10)12-5-2/h3-5H2,1-2H3
InChIKey
BQHDXNZNSPVVKB-UHFFFAOYSA-N
Compound name
diethyl 2-methylidenepropanedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1189
Patents

172.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 135.6
[M+Na]+ 195.06278 142.3
[M-H]- 171.06628 135.9
[M+NH4]+ 190.10738 155.9
[M+K]+ 211.03672 143.1
[M+H-H2O]+ 155.07082 130.8
[M+HCOO]- 217.07176 157.4
[M+CH3COO]- 231.08741 179.7
[M+Na-2H]- 193.04823 138.1
[M]+ 172.07301 139.3
[M]- 172.07411 139.3
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

patents stripe