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]+ 277.143446 161.8
[M+Na]+ 299.125388 171.6
[M-H]- 275.128894 165.9
[M+NH4]+ 294.169993 181.4
[M+K]+ 315.099328 168.4
[M+H-H2O]+ 259.133430 157.2
[M+HCOO]- 321.134371 181.8
[M+CH3COO]- 335.150021 201.7
[M+Na-2H]- 297.110836 160.8
[M]+ 276.13562142 166.5
[M]- 276.13671858 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.