CID 5316039

Acetylpterosin c

Structural Information

Molecular Formula
C16H20O4
SMILES
CC1C(C2=C(C1=O)C(=C(C(=C2)C)CCOC(=O)C)C)O
InChI
InChI=1S/C16H20O4/c1-8-7-13-14(16(19)10(3)15(13)18)9(2)12(8)5-6-20-11(4)17/h7,10,15,18H,5-6H2,1-4H3
InChIKey
KBPAOKSMUDDOIN-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13617 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14345 163.6
[M+Na]+ 299.12539 174.6
[M+NH4]+ 294.16999 170.3
[M+K]+ 315.09933 171.2
[M-H]- 275.12889 163.8
[M+Na-2H]- 297.11084 164.9
[M]+ 276.13562 165.0
[M]- 276.13672 165.0
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.