CID 6448209

84006-35-9

Structural Information

Molecular Formula
C24H34O4
SMILES
CC(C(C)OC(=O)/C=C/C1=CC=CC=C1)OC(=O)CCCCCCCCC=C
InChI
InChI=1S/C24H34O4/c1-4-5-6-7-8-9-10-14-17-23(25)27-20(2)21(3)28-24(26)19-18-22-15-12-11-13-16-22/h4,11-13,15-16,18-21H,1,5-10,14,17H2,2-3H3/b19-18+
InChIKey
KOEFGKWFOVQMEW-VHEBQXMUSA-N
Compound name
3-[(E)-3-phenylprop-2-enoyl]oxybutan-2-yl undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2457 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.252976 201.5
[M+Na]+ 409.234918 202.6
[M-H]- 385.238424 202.6
[M+NH4]+ 404.279523 212.5
[M+K]+ 425.208858 198.8
[M+H-H2O]+ 369.242960 193.1
[M+HCOO]- 431.243901 218.7
[M+CH3COO]- 445.259551 222.1
[M+Na-2H]- 407.220366 196.8
[M]+ 386.24515142 207.1
[M]- 386.24624858 207.1
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.