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]+ 203.143046 147.7
[M+Na]+ 225.124988 154.9
[M-H]- 201.128494 152.2
[M+NH4]+ 220.169593 170.0
[M+K]+ 241.098928 152.1
[M+H-H2O]+ 185.133030 142.9
[M+HCOO]- 247.133971 167.7
[M+CH3COO]- 261.149621 186.9
[M+Na-2H]- 223.110436 151.8
[M]+ 202.13522142 147.5
[M]- 202.13631858 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