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

25
Patents

218.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 149.5
[M+Na]+ 241.11990 155.1
[M-H]- 217.12340 153.2
[M+NH4]+ 236.16450 168.9
[M+K]+ 257.09384 152.5
[M+H-H2O]+ 201.12794 143.1
[M+HCOO]- 263.12888 169.1
[M+CH3COO]- 277.14453 189.0
[M+Na-2H]- 239.10535 154.4
[M]+ 218.13013 148.9
[M]- 218.13123 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