CID 132427848

2168875-37-2

Structural Information

Molecular Formula
C13H16O
SMILES
CC1(CCC(=O)CC2=CC=CC=C21)C
InChI
InChI=1S/C13H16O/c1-13(2)8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6H,7-9H2,1-2H3
InChIKey
UZDCVIPMRVHOPL-UHFFFAOYSA-N
Compound name
9,9-dimethyl-7,8-dihydro-5H-benzo[7]annulen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 137.3
[M+Na]+ 211.10934 143.9
[M-H]- 187.11284 143.1
[M+NH4]+ 206.15394 159.0
[M+K]+ 227.08328 144.6
[M+H-H2O]+ 171.11738 133.4
[M+HCOO]- 233.11832 157.4
[M+CH3COO]- 247.13397 186.1
[M+Na-2H]- 209.09479 144.0
[M]+ 188.11957 133.3
[M]- 188.12067 133.3
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

No patent data available for this compound.