CID 3051164

1-(3,4,5-trimethoxyphenyl)nonan-2-amine

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]+ 310.237676 178.9
[M+Na]+ 332.219618 183.9
[M-H]- 308.223124 181.3
[M+NH4]+ 327.264223 193.8
[M+K]+ 348.193558 181.6
[M+H-H2O]+ 292.227660 171.2
[M+HCOO]- 354.228601 200.4
[M+CH3COO]- 368.244251 213.1
[M+Na-2H]- 330.205066 178.1
[M]+ 309.22985142 185.1
[M]- 309.23094858 185.1
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.