CID 12540161

3,4-dimethyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C11H12O
SMILES
CC1CC(=O)C2=CC=CC(=C12)C
InChI
InChI=1S/C11H12O/c1-7-4-3-5-9-10(12)6-8(2)11(7)9/h3-5,8H,6H2,1-2H3
InChIKey
VQXQBKMPSGEDSW-UHFFFAOYSA-N
Compound name
3,4-dimethyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.08882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 131.6
[M+Na]+ 183.07804 141.7
[M-H]- 159.08154 136.9
[M+NH4]+ 178.12264 156.1
[M+K]+ 199.05198 138.8
[M+H-H2O]+ 143.08608 127.1
[M+HCOO]- 205.08702 155.2
[M+CH3COO]- 219.10267 179.7
[M+Na-2H]- 181.06349 136.6
[M]+ 160.08827 132.2
[M]- 160.08937 132.2
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.