CID 413755

Brn 0087170

Structural Information

Molecular Formula
C16H26N2O
SMILES
C1COCCN1CCCN2CC3C4CC(C3C2)C=C4
InChI
InChI=1S/C16H26N2O/c1(4-17-6-8-19-9-7-17)5-18-11-15-13-2-3-14(10-13)16(15)12-18/h2-3,13-16H,1,4-12H2
InChIKey
OGOKAEYVYPCQOA-UHFFFAOYSA-N
Compound name
4-[3-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.2045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.21178 164.8
[M+Na]+ 285.19372 168.9
[M-H]- 261.19722 168.4
[M+NH4]+ 280.23832 184.9
[M+K]+ 301.16766 166.4
[M+H-H2O]+ 245.20176 157.9
[M+HCOO]- 307.20270 178.2
[M+CH3COO]- 321.21835 174.7
[M+Na-2H]- 283.17917 162.4
[M]+ 262.20395 161.6
[M]- 262.20505 161.6
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

No patent data available for this compound.