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
trans-(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

239.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.138286 149.4
[M+Na]+ 262.120228 158.0
[M-H]- 238.123734 159.3
[M+NH4]+ 257.164833 161.8
[M+K]+ 278.094168 153.5
[M+H-H2O]+ 222.128270 141.6
[M+HCOO]- 284.129211 174.5
[M+CH3COO]- 298.144861 162.0
[M+Na-2H]- 260.105676 155.2
[M]+ 239.13046142 150.8
[M]- 239.13155858 150.8
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