CID 3051126

Indan-2-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCN(CC)CCOC(=O)C1CC2=CC=CC=C2C1
InChI
InChI=1S/C16H23NO2/c1-3-17(4-2)9-10-19-16(18)15-11-13-7-5-6-8-14(13)12-15/h5-8,15H,3-4,9-12H2,1-2H3
InChIKey
NASQNDXWNBFIKF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,3-dihydro-1H-indene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 164.5
[M+Na]+ 284.162098 169.3
[M-H]- 260.165604 169.4
[M+NH4]+ 279.206703 184.3
[M+K]+ 300.136038 167.4
[M+H-H2O]+ 244.170140 157.5
[M+HCOO]- 306.171081 187.0
[M+CH3COO]- 320.186731 202.9
[M+Na-2H]- 282.147546 166.3
[M]+ 261.17233142 167.2
[M]- 261.17342858 167.2
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.