CID 148710

Pterosin n

Structural Information

Molecular Formula
C14H18O3
SMILES
CC1=CC2=C(C(=C1CCO)C)C(=O)C(C2)(C)O
InChI
InChI=1S/C14H18O3/c1-8-6-10-7-14(3,17)13(16)12(10)9(2)11(8)4-5-15/h6,15,17H,4-5,7H2,1-3H3
InChIKey
FQLXILLXEWJGFO-UHFFFAOYSA-N
Compound name
2-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

234.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 150.8
[M+Na]+ 257.11482 161.3
[M-H]- 233.11832 153.8
[M+NH4]+ 252.15942 173.4
[M+K]+ 273.08876 157.2
[M+H-H2O]+ 217.12286 147.3
[M+HCOO]- 279.12380 170.7
[M+CH3COO]- 293.13945 189.8
[M+Na-2H]- 255.10027 153.4
[M]+ 234.12505 152.9
[M]- 234.12615 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.