CID 9795428

Unii-2a2xc2ce1g

Structural Information

Molecular Formula
C16H18N2O2
SMILES
COC1=CC=CC(=C1)C#CCO/N=C/2\CN3CC[C@@H]2C3
InChI
InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+/t14-/m1/s1
InChIKey
FXBXWJPMXQHOGD-UVTIVQHFSA-N
Compound name
(Z,4R)-N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 166.9
[M+Na]+ 293.12606 176.6
[M+NH4]+ 288.17066 171.6
[M+K]+ 309.10000 169.3
[M-H]- 269.12956 161.0
[M+Na-2H]- 291.11151 167.2
[M]+ 270.13629 165.6
[M]- 270.13739 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.