CID 43211593

2-phenoxy-1,2,3,4-tetrahydronaphthalen-1-amine

Structural Information

Molecular Formula
C16H17NO
SMILES
C1CC2=CC=CC=C2C(C1OC3=CC=CC=C3)N
InChI
InChI=1S/C16H17NO/c17-16-14-9-5-4-6-12(14)10-11-15(16)18-13-7-2-1-3-8-13/h1-9,15-16H,10-11,17H2
InChIKey
YWJTWWODPWSCAI-UHFFFAOYSA-N
Compound name
2-phenoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.138286 153.2
[M+Na]+ 262.120228 159.3
[M-H]- 238.123734 159.8
[M+NH4]+ 257.164833 171.0
[M+K]+ 278.094168 154.7
[M+H-H2O]+ 222.128270 145.4
[M+HCOO]- 284.129211 174.5
[M+CH3COO]- 298.144861 165.0
[M+Na-2H]- 260.105676 159.4
[M]+ 239.13046142 149.3
[M]- 239.13155858 149.3
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.