CID 6448207

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

Structural Information

Molecular Formula
C22H32O4
SMILES
CCCCCCCCC(=O)OC(C)C(C)OC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C22H32O4/c1-4-5-6-7-8-12-15-21(23)25-18(2)19(3)26-22(24)17-16-20-13-10-9-11-14-20/h9-11,13-14,16-19H,4-8,12,15H2,1-3H3/b17-16+
InChIKey
ZSKXDYWGVRISOZ-WUKNDPDISA-N
Compound name
3-[(E)-3-phenylprop-2-enoyl]oxybutan-2-yl nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23007 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23735 194.0
[M+Na]+ 383.21929 195.7
[M-H]- 359.22279 195.5
[M+NH4]+ 378.26389 206.2
[M+K]+ 399.19323 193.0
[M+H-H2O]+ 343.22733 185.9
[M+HCOO]- 405.22827 211.7
[M+CH3COO]- 419.24392 217.0
[M+Na-2H]- 381.20474 190.4
[M]+ 360.22952 199.5
[M]- 360.23062 199.5
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.