CID 3287174

1-(2,3,4-trimethoxyphenyl)ethan-1-amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

211.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 146.4
[M+Na]+ 234.110068 154.5
[M-H]- 210.113574 150.2
[M+NH4]+ 229.154673 165.3
[M+K]+ 250.084008 153.9
[M+H-H2O]+ 194.118110 140.2
[M+HCOO]- 256.119051 170.3
[M+CH3COO]- 270.134701 192.1
[M+Na-2H]- 232.095516 149.4
[M]+ 211.12030142 150.1
[M]- 211.12139858 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