CID 51888238

1258784-67-6

Structural Information

Molecular Formula
C16H17NO
SMILES
C1[C@H]([C@@H]1N)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H17NO/c17-16-10-15(16)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,17H2/t15-,16+/m0/s1
InChIKey
WVKRVNMRNFXMKX-JKSUJKDBSA-N
Compound name
(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

239.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 156.6
[M+Na]+ 262.12023 172.4
[M+NH4]+ 257.16483 166.7
[M+K]+ 278.09417 165.3
[M-H]- 238.12373 170.3
[M+Na-2H]- 260.10568 169.4
[M]+ 239.13046 164.0
[M]- 239.13156 164.0
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