CID 6448206

84006-29-1

Structural Information

Molecular Formula
C19H26O4
SMILES
CCCCCC(=O)OC(C)C(C)OC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C19H26O4/c1-4-5-7-12-18(20)22-15(2)16(3)23-19(21)14-13-17-10-8-6-9-11-17/h6,8-11,13-16H,4-5,7,12H2,1-3H3/b14-13+
InChIKey
BSBRAUYLEYBZFY-BUHFOSPRSA-N
Compound name
3-[(E)-3-phenylprop-2-enoyl]oxybutan-2-yl hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1831 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.190376 180.1
[M+Na]+ 341.172318 183.1
[M-H]- 317.175824 182.2
[M+NH4]+ 336.216923 194.0
[M+K]+ 357.146258 181.1
[M+H-H2O]+ 301.180360 172.5
[M+HCOO]- 363.181301 198.8
[M+CH3COO]- 377.196951 208.2
[M+Na-2H]- 339.157766 178.0
[M]+ 318.18255142 184.5
[M]- 318.18364858 184.5
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.