CID 104177

52371-31-0

Structural Information

Molecular Formula
C16H17N
SMILES
C1C[C@H](C2=CC=CC=C2[C@@H]1C3=CC=CC=C3)N
InChI
InChI=1S/C16H17N/c17-16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-9,13,16H,10-11,17H2/t13-,16+/m0/s1
InChIKey
IWNWWVPLTTUPBQ-XJKSGUPXSA-N
Compound name
(1R,4S)-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

223.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 151.4
[M+Na]+ 246.12532 166.5
[M+NH4]+ 241.16992 162.4
[M+K]+ 262.09926 157.0
[M-H]- 222.12882 158.6
[M+Na-2H]- 244.11077 161.2
[M]+ 223.13555 155.8
[M]- 223.13665 155.8
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