CID 3051168

1-(3,4,5-trimethoxybenzyl)decylamine

Structural Information

Molecular Formula
C20H35NO3
SMILES
CCCCCCCCCC(CC1=CC(=C(C(=C1)OC)OC)OC)N
InChI
InChI=1S/C20H35NO3/c1-5-6-7-8-9-10-11-12-17(21)13-16-14-18(22-2)20(24-4)19(15-16)23-3/h14-15,17H,5-13,21H2,1-4H3
InChIKey
DSGREKFHMOAVGY-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)undecan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2617 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.26898 188.0
[M+Na]+ 360.25092 192.1
[M-H]- 336.25442 190.0
[M+NH4]+ 355.29552 201.7
[M+K]+ 376.22486 189.3
[M+H-H2O]+ 320.25896 179.9
[M+HCOO]- 382.25990 208.8
[M+CH3COO]- 396.27555 219.0
[M+Na-2H]- 358.23637 186.1
[M]+ 337.26115 194.9
[M]- 337.26225 194.9
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.