CID 3051170

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

Structural Information

Molecular Formula
C14H23NO3
SMILES
CCCC(CC1=CC(=C(C(=C1)OC)OC)OC)N
InChI
InChI=1S/C14H23NO3/c1-5-6-11(15)7-10-8-12(16-2)14(18-4)13(9-10)17-3/h8-9,11H,5-7,15H2,1-4H3
InChIKey
LZCHRPGVBMMJGJ-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)pentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.175076 160.4
[M+Na]+ 276.157018 167.2
[M-H]- 252.160524 163.6
[M+NH4]+ 271.201623 177.6
[M+K]+ 292.130958 165.9
[M+H-H2O]+ 236.165060 153.6
[M+HCOO]- 298.166001 183.3
[M+CH3COO]- 312.181651 201.1
[M+Na-2H]- 274.142466 161.8
[M]+ 253.16725142 165.2
[M]- 253.16834858 165.2
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.