CID 217377

38727-09-2

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]+ 230.19032 155.6
[M+Na]+ 252.17226 167.8
[M+NH4]+ 247.21686 166.4
[M+K]+ 268.14620 159.0
[M-H]- 228.17576 162.2
[M+Na-2H]- 250.15771 162.6
[M]+ 229.18249 159.2
[M]- 229.18359 159.2
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.