CID 204453

Indene-3-ethylamine, n,n-dimethyl-2-(o-methylbenzyl)-, hydrochloride

Structural Information

Molecular Formula
C21H25N
SMILES
CC1=CC=CC=C1CC2=C(C3=CC=CC=C3C2)CCN(C)C
InChI
InChI=1S/C21H25N/c1-16-8-4-5-9-17(16)14-19-15-18-10-6-7-11-20(18)21(19)12-13-22(2)3/h4-11H,12-15H2,1-3H3
InChIKey
XEXKMHQACVIAQC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-[(2-methylphenyl)methyl]-3H-inden-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1987 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.205976 172.9
[M+Na]+ 314.187918 179.9
[M-H]- 290.191424 181.7
[M+NH4]+ 309.232523 191.9
[M+K]+ 330.161858 175.0
[M+H-H2O]+ 274.195960 164.9
[M+HCOO]- 336.196901 197.0
[M+CH3COO]- 350.212551 212.1
[M+Na-2H]- 312.173366 174.9
[M]+ 291.19815142 175.6
[M]- 291.19924858 175.6
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.