CID 96488

Triethyl pentane-1,3,5-tricarboxylate

Structural Information

Molecular Formula
C14H24O6
SMILES
CCOC(=O)CCC(CCC(=O)OCC)C(=O)OCC
InChI
InChI=1S/C14H24O6/c1-4-18-12(15)9-7-11(14(17)20-6-3)8-10-13(16)19-5-2/h11H,4-10H2,1-3H3
InChIKey
NYUHDOGHVKWGSO-UHFFFAOYSA-N
Compound name
triethyl pentane-1,3,5-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.1573 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.164576 168.8
[M+Na]+ 311.146518 172.8
[M-H]- 287.150024 168.0
[M+NH4]+ 306.191123 184.3
[M+K]+ 327.120458 173.6
[M+H-H2O]+ 271.154560 162.6
[M+HCOO]- 333.155501 188.2
[M+CH3COO]- 347.171151 201.9
[M+Na-2H]- 309.131966 167.1
[M]+ 288.15675142 177.1
[M]- 288.15784858 177.1
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.