CID 10728290

5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3h-inden-1-one

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1=CC2=C(CC(C2=O)(C)C)C(=C1CCO)C
InChI
InChI=1S/C15H20O2/c1-9-7-12-13(8-15(3,4)14(12)17)10(2)11(9)5-6-16/h7,16H,5-6,8H2,1-4H3
InChIKey
NUFTYHHRGFEVPH-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethyl)-2,2,4,6-tetramethyl-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

232.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 151.3
[M+Na]+ 255.13555 161.9
[M-H]- 231.13905 155.6
[M+NH4]+ 250.18015 174.8
[M+K]+ 271.10949 157.8
[M+H-H2O]+ 215.14359 147.5
[M+HCOO]- 277.14453 172.2
[M+CH3COO]- 291.16018 193.2
[M+Na-2H]- 253.12100 153.7
[M]+ 232.14578 154.1
[M]- 232.14688 154.1
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