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]+ 268.19072 165.1
[M+Na]+ 290.17266 171.4
[M-H]- 266.17616 168.1
[M+NH4]+ 285.21726 181.7
[M+K]+ 306.14660 169.8
[M+H-H2O]+ 250.18070 158.1
[M+HCOO]- 312.18164 187.6
[M+CH3COO]- 326.19729 204.1
[M+Na-2H]- 288.15811 165.9
[M]+ 267.18289 170.2
[M]- 267.18399 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.