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

129
Patents

239.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13829 149.4
[M+Na]+ 262.12023 158.0
[M-H]- 238.12373 159.3
[M+NH4]+ 257.16483 161.8
[M+K]+ 278.09417 153.5
[M+H-H2O]+ 222.12827 141.6
[M+HCOO]- 284.12921 174.5
[M+CH3COO]- 298.14486 162.0
[M+Na-2H]- 260.10568 155.2
[M]+ 239.13046 150.8
[M]- 239.13156 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