CID 6448207

84006-31-5

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]+ 361.237346 194.0
[M+Na]+ 383.219288 195.7
[M-H]- 359.222794 195.5
[M+NH4]+ 378.263893 206.2
[M+K]+ 399.193228 193.0
[M+H-H2O]+ 343.227330 185.9
[M+HCOO]- 405.228271 211.7
[M+CH3COO]- 419.243921 217.0
[M+Na-2H]- 381.204736 190.4
[M]+ 360.22952142 199.5
[M]- 360.23061858 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.