CID 91733942

Camjtcubphnxhn-uhfffaoysa-n

Structural Information

Molecular Formula
C23H34O4
SMILES
CCCCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C
InChI
InChI=1S/C23H34O4/c1-3-5-6-7-8-9-10-11-12-13-18-27-23(25)21-16-14-15-20(19-21)22(24)26-17-4-2/h4,14-16,19H,2-3,5-13,17-18H2,1H3
InChIKey
CAMJTCUBPHNXHN-UHFFFAOYSA-N
Compound name
1-O-dodecyl 3-O-prop-2-enyl benzene-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2457 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.252976 197.2
[M+Na]+ 397.234918 199.8
[M-H]- 373.238424 198.7
[M+NH4]+ 392.279523 209.1
[M+K]+ 413.208858 195.8
[M+H-H2O]+ 357.242960 188.7
[M+HCOO]- 419.243901 216.5
[M+CH3COO]- 433.259551 220.2
[M+Na-2H]- 395.220366 194.8
[M]+ 374.24515142 204.8
[M]- 374.24624858 204.8
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.