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 149.8
[M+Na]+ 246.12532 156.0
[M-H]- 222.12882 156.4
[M+NH4]+ 241.16992 168.4
[M+K]+ 262.09926 150.8
[M+H-H2O]+ 206.13336 142.2
[M+HCOO]- 268.13430 170.9
[M+CH3COO]- 282.14995 161.8
[M+Na-2H]- 244.11077 156.0
[M]+ 223.13555 144.5
[M]- 223.13665 144.5
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