CID 217377

Dtxsid20959541

Structural Information

Molecular Formula
C16H23N
SMILES
C1CC[C@@H]2C[C@@H]([C@@H](C[C@H]2C1)C3=CC=CC=C3)N
InChI
InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15+,16+/m1/s1
InChIKey
WLYIQVUZQRWOSU-WCVJEAGWSA-N
Compound name
(2S,3S,4aR,8aR)-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 153.9
[M+Na]+ 252.172258 156.9
[M-H]- 228.175764 159.3
[M+NH4]+ 247.216863 171.9
[M+K]+ 268.146198 152.3
[M+H-H2O]+ 212.180300 146.2
[M+HCOO]- 274.181241 170.6
[M+CH3COO]- 288.196891 164.1
[M+Na-2H]- 250.157706 156.9
[M]+ 229.18249142 144.2
[M]- 229.18358858 144.2
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.