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

55
Patents

223.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.143376 149.8
[M+Na]+ 246.125318 156.0
[M-H]- 222.128824 156.4
[M+NH4]+ 241.169923 168.4
[M+K]+ 262.099258 150.8
[M+H-H2O]+ 206.133360 142.2
[M+HCOO]- 268.134301 170.9
[M+CH3COO]- 282.149951 161.8
[M+Na-2H]- 244.110766 156.0
[M]+ 223.13555142 144.5
[M]- 223.13664858 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