CID 6366249

Bis(2-methylpropyl) (3-phenylallylidene)malonate

Structural Information

Molecular Formula
C20H26O4
SMILES
CC(C)COC(=O)C(=C/C=C/C1=CC=CC=C1)C(=O)OCC(C)C
InChI
InChI=1S/C20H26O4/c1-15(2)13-23-19(21)18(20(22)24-14-16(3)4)12-8-11-17-9-6-5-7-10-17/h5-12,15-16H,13-14H2,1-4H3/b11-8+
InChIKey
UYXJOXINCKDHDM-DHZHZOJOSA-N
Compound name
bis(2-methylpropyl) 2-[(E)-3-phenylprop-2-enylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1831 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.190376 182.8
[M+Na]+ 353.172318 185.6
[M-H]- 329.175824 184.9
[M+NH4]+ 348.216923 196.2
[M+K]+ 369.146258 183.3
[M+H-H2O]+ 313.180360 175.4
[M+HCOO]- 375.181301 200.5
[M+CH3COO]- 389.196951 210.6
[M+Na-2H]- 351.157766 179.2
[M]+ 330.18255142 186.3
[M]- 330.18364858 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.