CID 599689

3,3,5,6-tetramethyl-1-indanone

Structural Information

Molecular Formula
C13H16O
SMILES
CC1=CC2=C(C=C1C)C(CC2=O)(C)C
InChI
InChI=1S/C13H16O/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6H,7H2,1-4H3
InChIKey
BXABKFVJTUQBMS-UHFFFAOYSA-N
Compound name
3,3,5,6-tetramethyl-2H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

188.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 140.8
[M+Na]+ 211.10934 154.3
[M+NH4]+ 206.15394 152.1
[M+K]+ 227.08328 146.8
[M-H]- 187.11284 143.7
[M+Na-2H]- 209.09479 147.5
[M]+ 188.11957 143.8
[M]- 188.12067 143.8
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