CID 389441

Nsc685534

Structural Information

Molecular Formula
C16H24N2O
SMILES
C1CCN2CCCC(C2C1)COC3=CC=CC(=C3)N
InChI
InChI=1S/C16H24N2O/c17-14-6-3-7-15(11-14)19-12-13-5-4-10-18-9-2-1-8-16(13)18/h3,6-7,11,13,16H,1-2,4-5,8-10,12,17H2
InChIKey
HDXSSQBGRXLIOW-UHFFFAOYSA-N
Compound name
3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 161.8
[M+Na]+ 283.17809 164.7
[M-H]- 259.18159 165.6
[M+NH4]+ 278.22269 177.1
[M+K]+ 299.15203 160.5
[M+H-H2O]+ 243.18613 152.8
[M+HCOO]- 305.18707 177.3
[M+CH3COO]- 319.20272 171.0
[M+Na-2H]- 281.16354 164.9
[M]+ 260.18832 154.1
[M]- 260.18942 154.1
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.