CID 12200711

1,5-diethyl 2-methylidenepentanedioate

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC(=O)CCC(=C)C(=O)OCC
InChI
InChI=1S/C10H16O4/c1-4-13-9(11)7-6-8(3)10(12)14-5-2/h3-7H2,1-2H3
InChIKey
CYWQFUQJVLRILO-UHFFFAOYSA-N
Compound name
diethyl 2-methylidenepentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

200.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 145.1
[M+Na]+ 223.094078 151.0
[M-H]- 199.097584 145.0
[M+NH4]+ 218.138683 164.2
[M+K]+ 239.068018 151.2
[M+H-H2O]+ 183.102120 139.9
[M+HCOO]- 245.103061 166.3
[M+CH3COO]- 259.118711 185.7
[M+Na-2H]- 221.079526 146.5
[M]+ 200.10431142 149.6
[M]- 200.10540858 149.6
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