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]+ 292.20598 172.9
[M+Na]+ 314.18792 179.9
[M-H]- 290.19142 181.7
[M+NH4]+ 309.23252 191.9
[M+K]+ 330.16186 175.0
[M+H-H2O]+ 274.19596 164.9
[M+HCOO]- 336.19690 197.0
[M+CH3COO]- 350.21255 212.1
[M+Na-2H]- 312.17337 174.9
[M]+ 291.19815 175.6
[M]- 291.19925 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.