CID 6448209

1-methyl-2-((1-oxo-3-phenyl-2-propenyl)oxy)propyl 10-undecenoate

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]+ 387.25298 201.5
[M+Na]+ 409.23492 202.6
[M-H]- 385.23842 202.6
[M+NH4]+ 404.27952 212.5
[M+K]+ 425.20886 198.8
[M+H-H2O]+ 369.24296 193.1
[M+HCOO]- 431.24390 218.7
[M+CH3COO]- 445.25955 222.1
[M+Na-2H]- 407.22037 196.8
[M]+ 386.24515 207.1
[M]- 386.24625 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.