CID 2771848

1-(3,4,5-trimethoxyphenyl)ethanamine

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C1=CC(=C(C(=C1)OC)OC)OC)N
InChI
InChI=1S/C11H17NO3/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-7H,12H2,1-4H3
InChIKey
WYQUYSRUIVFEII-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

211.12085 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 146.4
[M+Na]+ 234.11007 154.5
[M-H]- 210.11357 150.2
[M+NH4]+ 229.15467 165.3
[M+K]+ 250.08401 153.9
[M+H-H2O]+ 194.11811 140.2
[M+HCOO]- 256.11905 170.3
[M+CH3COO]- 270.13470 192.1
[M+Na-2H]- 232.09552 149.4
[M]+ 211.12030 150.1
[M]- 211.12140 150.1
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

patents stripe