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

192
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 151.1
[M+Na]+ 248.12571 158.7
[M-H]- 224.12921 154.7
[M+NH4]+ 243.17031 169.5
[M+K]+ 264.09965 157.9
[M+H-H2O]+ 208.13375 144.7
[M+HCOO]- 270.13469 174.7
[M+CH3COO]- 284.15034 195.1
[M+Na-2H]- 246.11116 153.5
[M]+ 225.13594 155.2
[M]- 225.13704 155.2
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