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 163.9
[M+Na]+ 293.12606 173.3
[M-H]- 269.12956 167.0
[M+NH4]+ 288.17066 181.9
[M+K]+ 309.10000 165.9
[M+H-H2O]+ 253.13410 150.1
[M+HCOO]- 315.13504 180.4
[M+CH3COO]- 329.15069 173.9
[M+Na-2H]- 291.11151 165.1
[M]+ 270.13629 159.6
[M]- 270.13739 159.6
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.