CID 6437727

Ditetradecyl fumarate

Structural Information

Molecular Formula
C32H60O4
SMILES
CCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/C32H60O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-28-32(34)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26,29-30H2,1-2H3/b28-27+
InChIKey
DYVHFPDDBMMBAX-BYYHNAKLSA-N
Compound name
ditetradecyl (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

508.44916 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.45644 239.3
[M+Na]+ 531.43838 246.1
[M-H]- 507.44188 225.6
[M+NH4]+ 526.48298 241.6
[M+K]+ 547.41232 245.1
[M+H-H2O]+ 491.44642 240.4
[M+HCOO]- 553.44736 247.5
[M+CH3COO]- 567.46301 248.7
[M+Na-2H]- 529.42383 225.6
[M]+ 508.44861 240.0
[M]- 508.44971 240.0
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

patents stripe