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

7
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

literature stripe

Patent stripe

patents stripe