CID 110984

Indene-1-ethylamine, n-methyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C18H19N
SMILES
CNCCC1(C=CC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C18H19N/c1-19-14-13-18(16-8-3-2-4-9-16)12-11-15-7-5-6-10-17(15)18/h2-12,19H,13-14H2,1H3
InChIKey
HUGLAQUJRPXQOX-UHFFFAOYSA-N
Compound name
N-methyl-2-(1-phenylinden-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.15175 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.159026 158.6
[M+Na]+ 272.140968 166.1
[M-H]- 248.144474 166.2
[M+NH4]+ 267.185573 180.2
[M+K]+ 288.114908 160.5
[M+H-H2O]+ 232.149010 151.2
[M+HCOO]- 294.149951 183.4
[M+CH3COO]- 308.165601 171.3
[M+Na-2H]- 270.126416 165.5
[M]+ 249.15120142 158.6
[M]- 249.15229858 158.6
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

patents stripe