CID 5320783

(s)-pterosin d

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1=CC2=C(C(=C1CCO)C)C(=O)C(C2O)(C)C
InChI
InChI=1S/C15H20O3/c1-8-7-11-12(9(2)10(8)5-6-16)14(18)15(3,4)13(11)17/h7,13,16-17H,5-6H2,1-4H3
InChIKey
FITSCHPIOGIYJY-UHFFFAOYSA-N
Compound name
3-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

248.14125 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 154.3
[M+Na]+ 271.130468 165.2
[M-H]- 247.133974 157.5
[M+NH4]+ 266.175073 176.6
[M+K]+ 287.104408 160.9
[M+H-H2O]+ 231.138510 151.0
[M+HCOO]- 293.139451 173.7
[M+CH3COO]- 307.155101 194.1
[M+Na-2H]- 269.115916 155.8
[M]+ 248.14070142 157.1
[M]- 248.14179858 157.1
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

patents stripe