CID 49915

6-methoxy-n-octyl-1,2,3,4-tetrahydro-1-naphthylamine

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]+ 290.24785 173.3
[M+Na]+ 312.22979 176.6
[M-H]- 288.23329 176.0
[M+NH4]+ 307.27439 189.8
[M+K]+ 328.20373 172.4
[M+H-H2O]+ 272.23783 165.6
[M+HCOO]- 334.23877 192.7
[M+CH3COO]- 348.25442 208.7
[M+Na-2H]- 310.21524 176.3
[M]+ 289.24002 174.0
[M]- 289.24112 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.