CID 70153670

1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one

Structural Information

Molecular Formula
C13H16O
SMILES
CC(=O)CC1=CC2=C(CCCC2)C=C1
InChI
InChI=1S/C13H16O/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h6-7,9H,2-5,8H2,1H3
InChIKey
AOQRNLHAOYRVNA-UHFFFAOYSA-N
Compound name
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 141.2
[M+Na]+ 211.10934 147.2
[M-H]- 187.11284 145.1
[M+NH4]+ 206.15394 161.9
[M+K]+ 227.08328 144.4
[M+H-H2O]+ 171.11738 135.2
[M+HCOO]- 233.11832 160.9
[M+CH3COO]- 247.13397 184.7
[M+Na-2H]- 209.09479 146.7
[M]+ 188.11957 138.9
[M]- 188.12067 138.9
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