CID 49915

67510-76-3

Structural Information

Molecular Formula
C19H31NO
SMILES
CCCCCCCCNC1CCCC2=C1C=CC(=C2)OC
InChI
InChI=1S/C19H31NO/c1-3-4-5-6-7-8-14-20-19-11-9-10-16-15-17(21-2)12-13-18(16)19/h12-13,15,19-20H,3-11,14H2,1-2H3
InChIKey
DVMIFRHWBXFOMA-UHFFFAOYSA-N
Compound name
6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.24057 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.247846 173.3
[M+Na]+ 312.229788 176.6
[M-H]- 288.233294 176.0
[M+NH4]+ 307.274393 189.8
[M+K]+ 328.203728 172.4
[M+H-H2O]+ 272.237830 165.6
[M+HCOO]- 334.238771 192.7
[M+CH3COO]- 348.254421 208.7
[M+Na-2H]- 310.215236 176.3
[M]+ 289.24002142 174.0
[M]- 289.24111858 174.0
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.