CID 12322855

22339-45-3

Structural Information

Molecular Formula
C13H16O2
SMILES
CCOC(=O)CC1CCC2=CC=CC=C12
InChI
InChI=1S/C13H16O2/c1-2-15-13(14)9-11-8-7-10-5-3-4-6-12(10)11/h3-6,11H,2,7-9H2,1H3
InChIKey
GYOFMIPAKYRMQS-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3-dihydro-1H-inden-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

204.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 146.6
[M+Na]+ 227.104258 153.6
[M-H]- 203.107764 150.8
[M+NH4]+ 222.148863 168.5
[M+K]+ 243.078198 151.1
[M+H-H2O]+ 187.112300 140.9
[M+HCOO]- 249.113241 168.7
[M+CH3COO]- 263.128891 185.6
[M+Na-2H]- 225.089706 150.4
[M]+ 204.11449142 147.8
[M]- 204.11558858 147.8
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