CID 3051165

67293-52-1

Structural Information

Molecular Formula
C17H29NO3
SMILES
CCCCCCC(CC1=CC(=C(C(=C1)OC)OC)OC)N
InChI
InChI=1S/C17H29NO3/c1-5-6-7-8-9-14(18)10-13-11-15(19-2)17(21-4)16(12-13)20-3/h11-12,14H,5-10,18H2,1-4H3
InChIKey
KMLNVPCGVUWXEK-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)octan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.22203 173.3
[M+Na]+ 318.20397 183.4
[M+NH4]+ 313.24857 179.7
[M+K]+ 334.17791 177.1
[M-H]- 294.20747 174.9
[M+Na-2H]- 316.18942 176.8
[M]+ 295.21420 175.0
[M]- 295.21530 175.0
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.