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]+ 175.11174 138.3
[M+Na]+ 197.09368 145.8
[M-H]- 173.09718 142.7
[M+NH4]+ 192.13828 161.5
[M+K]+ 213.06762 143.1
[M+H-H2O]+ 157.10172 133.1
[M+HCOO]- 219.10266 160.6
[M+CH3COO]- 233.11831 181.3
[M+Na-2H]- 195.07913 142.7
[M]+ 174.10391 137.9
[M]- 174.10501 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