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]+ 260.16451 163.2
[M+Na]+ 282.14645 169.0
[M-H]- 258.14995 168.5
[M+NH4]+ 277.19105 183.2
[M+K]+ 298.12039 167.0
[M+H-H2O]+ 242.15449 156.2
[M+HCOO]- 304.15543 187.1
[M+CH3COO]- 318.17108 202.5
[M+Na-2H]- 280.13190 165.9
[M]+ 259.15668 167.4
[M]- 259.15778 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.