CID 3051164

67293-51-0

Structural Information

Molecular Formula
C18H31NO3
SMILES
CCCCCCCC(CC1=CC(=C(C(=C1)OC)OC)OC)N
InChI
InChI=1S/C18H31NO3/c1-5-6-7-8-9-10-15(19)11-14-12-16(20-2)18(22-4)17(13-14)21-3/h12-13,15H,5-11,19H2,1-4H3
InChIKey
UKLPFTJPSYHWML-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)nonan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 177.8
[M+Na]+ 332.21962 187.7
[M+NH4]+ 327.26422 184.0
[M+K]+ 348.19356 181.1
[M-H]- 308.22312 179.3
[M+Na-2H]- 330.20507 181.0
[M]+ 309.22985 179.5
[M]- 309.23095 179.5
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.