CID 31012

1-(2,3,4-trimethoxyphenyl)propan-2-amine

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(CC1=C(C(=C(C=C1)OC)OC)OC)N
InChI
InChI=1S/C12H19NO3/c1-8(13)7-9-5-6-10(14-2)12(16-4)11(9)15-3/h5-6,8H,7,13H2,1-4H3
InChIKey
LWDQPPLPHGXYLG-UHFFFAOYSA-N
Compound name
1-(2,3,4-trimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

170
Patents

225.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 150.9
[M+Na]+ 248.12571 162.0
[M+NH4]+ 243.17031 158.1
[M+K]+ 264.09965 156.9
[M-H]- 224.12921 152.7
[M+Na-2H]- 246.11116 155.7
[M]+ 225.13594 152.8
[M]- 225.13704 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe