CID 204173

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

Structural Information

Molecular Formula
C15H25NO3
SMILES
CCCCC(CC1=CC(=C(C(=C1)OC)OC)OC)N
InChI
InChI=1S/C15H25NO3/c1-5-6-7-12(16)8-11-9-13(17-2)15(19-4)14(10-11)18-3/h9-10,12H,5-8,16H2,1-4H3
InChIKey
MSVLOLMKUPHDNN-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)hexan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.190716 165.1
[M+Na]+ 290.172658 171.4
[M-H]- 266.176164 168.1
[M+NH4]+ 285.217263 181.7
[M+K]+ 306.146598 169.8
[M+H-H2O]+ 250.180700 158.1
[M+HCOO]- 312.181641 187.6
[M+CH3COO]- 326.197291 204.1
[M+Na-2H]- 288.158106 165.9
[M]+ 267.18289142 170.2
[M]- 267.18398858 170.2
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.