CID 13657956

102296-44-6

Structural Information

Molecular Formula
C13H16O
SMILES
CC(=O)C1=CC2=C(C=C1)C(CC2)(C)C
InChI
InChI=1S/C13H16O/c1-9(14)10-4-5-12-11(8-10)6-7-13(12,2)3/h4-5,8H,6-7H2,1-3H3
InChIKey
HVENCELDSVORNF-UHFFFAOYSA-N
Compound name
1-(1,1-dimethyl-2,3-dihydroinden-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

188.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 141.5
[M+Na]+ 211.109338 150.5
[M-H]- 187.112844 146.5
[M+NH4]+ 206.153943 166.6
[M+K]+ 227.083278 147.6
[M+H-H2O]+ 171.117380 137.1
[M+HCOO]- 233.118321 163.4
[M+CH3COO]- 247.133971 184.9
[M+Na-2H]- 209.094786 145.9
[M]+ 188.11957142 142.1
[M]- 188.12066858 142.1
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

patents stripe