CID 599678

10474-33-6

Structural Information

Molecular Formula
C13H16O
SMILES
CC1(C2=CC=CC=C2C(=O)C1(C)C)C
InChI
InChI=1S/C13H16O/c1-12(2)10-8-6-5-7-9(10)11(14)13(12,3)4/h5-8H,1-4H3
InChIKey
FIJPHHFVOZZTTR-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethylinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

188.12012 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 138.1
[M+Na]+ 211.109338 149.3
[M-H]- 187.112844 143.9
[M+NH4]+ 206.153943 165.6
[M+K]+ 227.083278 146.1
[M+H-H2O]+ 171.117380 134.5
[M+HCOO]- 233.118321 161.1
[M+CH3COO]- 247.133971 185.0
[M+Na-2H]- 209.094786 144.4
[M]+ 188.11957142 140.1
[M]- 188.12066858 140.1
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