CID 6423567

Phthalic acid, 2-methoxyethyl tetradecyl ester

Structural Information

Molecular Formula
C25H40O5
SMILES
CCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
InChI
InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-29-24(26)22-17-14-15-18-23(22)25(27)30-21-20-28-2/h14-15,17-18H,3-13,16,19-21H2,1-2H3
InChIKey
TZGWARKKHLPHBW-UHFFFAOYSA-N
Compound name
2-O-(2-methoxyethyl) 1-O-tetradecyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.28757 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.294846 210.5
[M+Na]+ 443.276788 211.7
[M-H]- 419.280294 211.4
[M+NH4]+ 438.321393 220.5
[M+K]+ 459.250728 208.6
[M+H-H2O]+ 403.284830 201.3
[M+HCOO]- 465.285771 229.1
[M+CH3COO]- 479.301421 228.7
[M+Na-2H]- 441.262236 207.1
[M]+ 420.28702142 221.0
[M]- 420.28811858 221.0
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

No patent data available for this compound.