CID 18690820

1-(2,3-dihydro-1h-inden-5-yl)-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula
C14H18O
SMILES
CC(C)(C)C(=O)C1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C14H18O/c1-14(2,3)13(15)12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3
InChIKey
MUYOJOIWSYEDFJ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.13577 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 147.7
[M+Na]+ 225.12499 154.9
[M-H]- 201.12849 152.2
[M+NH4]+ 220.16959 170.0
[M+K]+ 241.09893 152.1
[M+H-H2O]+ 185.13303 142.9
[M+HCOO]- 247.13397 167.7
[M+CH3COO]- 261.14962 186.9
[M+Na-2H]- 223.11044 151.8
[M]+ 202.13522 147.5
[M]- 202.13632 147.5
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