CID 4614385

2-ethyl-3,4-dihydro-2h-naphthalen-1-one

Structural Information

Molecular Formula
C12H14O
SMILES
CCC1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C12H14O/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)13/h3-6,9H,2,7-8H2,1H3
InChIKey
FTXPVDXMMIPDMC-UHFFFAOYSA-N
Compound name
2-ethyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

174.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 135.8
[M+Na]+ 197.09368 143.5
[M-H]- 173.09718 140.2
[M+NH4]+ 192.13828 157.4
[M+K]+ 213.06762 140.4
[M+H-H2O]+ 157.10172 130.1
[M+HCOO]- 219.10266 156.8
[M+CH3COO]- 233.11831 181.9
[M+Na-2H]- 195.07913 142.4
[M]+ 174.10391 134.1
[M]- 174.10501 134.1
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