CID 12322859

Ethyl 2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetate

Structural Information

Molecular Formula
C14H18O2
SMILES
CCOC(=O)CC1CCCC2=CC=CC=C12
InChI
InChI=1S/C14H18O2/c1-2-16-14(15)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-4,6,9,12H,2,5,7-8,10H2,1H3
InChIKey
PHRUMYUPGUAJSG-UHFFFAOYSA-N
Compound name
ethyl 2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

218.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 149.5
[M+Na]+ 241.119898 155.1
[M-H]- 217.123404 153.2
[M+NH4]+ 236.164503 168.9
[M+K]+ 257.093838 152.5
[M+H-H2O]+ 201.127940 143.1
[M+HCOO]- 263.128881 169.1
[M+CH3COO]- 277.144531 189.0
[M+Na-2H]- 239.105346 154.4
[M]+ 218.13013142 148.9
[M]- 218.13122858 148.9
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