CID 3051116

67292-66-4

Structural Information

Molecular Formula
C16H21NO2
SMILES
CCN(CC)CCOC(=O)C1C=CC2=CC=CC=C12
InChI
InChI=1S/C16H21NO2/c1-3-17(4-2)11-12-19-16(18)15-10-9-13-7-5-6-8-14(13)15/h5-10,15H,3-4,11-12H2,1-2H3
InChIKey
DHJRDPIKBXXKOK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1H-indene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 163.2
[M+Na]+ 282.146448 169.0
[M-H]- 258.149954 168.5
[M+NH4]+ 277.191053 183.2
[M+K]+ 298.120388 167.0
[M+H-H2O]+ 242.154490 156.2
[M+HCOO]- 304.155431 187.1
[M+CH3COO]- 318.171081 202.5
[M+Na-2H]- 280.131896 165.9
[M]+ 259.15668142 167.4
[M]- 259.15777858 167.4
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

No patent data available for this compound.