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 161.8
[M+Na]+ 299.12539 171.6
[M-H]- 275.12889 165.9
[M+NH4]+ 294.16999 181.4
[M+K]+ 315.09933 168.4
[M+H-H2O]+ 259.13343 157.2
[M+HCOO]- 321.13437 181.8
[M+CH3COO]- 335.15002 201.7
[M+Na-2H]- 297.11084 160.8
[M]+ 276.13562 166.5
[M]- 276.13672 166.5
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.