CID 9795428

Pd-151832

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

1
Patents

270.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.144116 163.9
[M+Na]+ 293.126058 173.3
[M-H]- 269.129564 167.0
[M+NH4]+ 288.170663 181.9
[M+K]+ 309.099998 165.9
[M+H-H2O]+ 253.134100 150.1
[M+HCOO]- 315.135041 180.4
[M+CH3COO]- 329.150691 173.9
[M+Na-2H]- 291.111506 165.1
[M]+ 270.13629142 159.6
[M]- 270.13738858 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

patents stripe