CID 131753163

Piperenol c

Structural Information

Molecular Formula
C22H24O10
SMILES
CC(=O)OC1C=C(C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H24O10/c1-12(23)29-18-10-17(11-28-22(27)16-8-6-5-7-9-16)19(30-13(2)24)21(32-15(4)26)20(18)31-14(3)25/h5-10,18-21H,11H2,1-4H3
InChIKey
DNKKICSBPVSNIP-UHFFFAOYSA-N
Compound name
(3,4,5,6-tetraacetyloxycyclohexen-1-yl)methyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.13693 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14421 195.6
[M+Na]+ 471.12615 199.0
[M-H]- 447.12965 201.5
[M+NH4]+ 466.17075 203.8
[M+K]+ 487.10009 201.0
[M+H-H2O]+ 431.13419 187.0
[M+HCOO]- 493.13513 212.3
[M+CH3COO]- 507.15078 230.2
[M+Na-2H]- 469.11160 190.8
[M]+ 448.13638 203.8
[M]- 448.13748 203.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.