CID 59818269

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

Structural Information

Molecular Formula
C12H14O
SMILES
CCC(=O)C1CC2=CC=CC=C2C1
InChI
InChI=1S/C12H14O/c1-2-12(13)11-7-9-5-3-4-6-10(9)8-11/h3-6,11H,2,7-8H2,1H3
InChIKey
AAMGJKUNSVUHEK-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

174.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 138.3
[M+Na]+ 197.093678 145.8
[M-H]- 173.097184 142.7
[M+NH4]+ 192.138283 161.5
[M+K]+ 213.067618 143.1
[M+H-H2O]+ 157.101720 133.1
[M+HCOO]- 219.102661 160.6
[M+CH3COO]- 233.118311 181.3
[M+Na-2H]- 195.079126 142.7
[M]+ 174.10391142 137.9
[M]- 174.10500858 137.9
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