CID 64471

2,5-methanoindan-4-amine, hexahydro-4-(p-chlorobenzyl)-, hydrochloride

Structural Information

Molecular Formula
C17H22ClN
SMILES
C1CC2CC3CC1C(C3)C2(CC4=CC=C(C=C4)Cl)N
InChI
InChI=1S/C17H22ClN/c18-15-5-1-11(2-6-15)10-17(19)14-4-3-13-7-12(8-14)9-16(13)17/h1-2,5-6,12-14,16H,3-4,7-10,19H2
InChIKey
PDZYMCFERBJFAO-UHFFFAOYSA-N
Compound name
7-[(4-chlorophenyl)methyl]tricyclo[4.3.1.03,8]decan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.14407 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15135 166.1
[M+Na]+ 298.13329 172.5
[M-H]- 274.13679 169.3
[M+NH4]+ 293.17789 189.8
[M+K]+ 314.10723 165.2
[M+H-H2O]+ 258.14133 160.2
[M+HCOO]- 320.14227 176.5
[M+CH3COO]- 334.15792 176.3
[M+Na-2H]- 296.11874 169.5
[M]+ 275.14352 163.4
[M]- 275.14462 163.4
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.