CID 69885

774-55-0

Structural Information

Molecular Formula
C12H14O
SMILES
CC(=O)C1=CC2=C(CCCC2)C=C1
InChI
InChI=1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3
InChIKey
VEPUKHYQNXSSKV-UHFFFAOYSA-N
Compound name
1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

435
Patents

174.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 136.5
[M+Na]+ 197.093678 142.9
[M-H]- 173.097184 140.5
[M+NH4]+ 192.138283 157.7
[M+K]+ 213.067618 140.3
[M+H-H2O]+ 157.101720 130.7
[M+HCOO]- 219.102661 156.5
[M+CH3COO]- 233.118311 181.6
[M+Na-2H]- 195.079126 142.5
[M]+ 174.10391142 133.8
[M]- 174.10500858 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe