CID 521855

Methyl[(3,4,5-trimethoxyphenyl)methyl]amine

Structural Information

Molecular Formula
C11H17NO3
SMILES
CNCC1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C11H17NO3/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6,12H,7H2,1-4H3
InChIKey
LFULMNRPABTDDQ-UHFFFAOYSA-N
Compound name
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

211.12085 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 145.4
[M+Na]+ 234.11007 153.7
[M-H]- 210.11357 149.6
[M+NH4]+ 229.15467 164.6
[M+K]+ 250.08401 152.9
[M+H-H2O]+ 194.11811 139.1
[M+HCOO]- 256.11905 171.0
[M+CH3COO]- 270.13470 191.8
[M+Na-2H]- 232.09552 150.7
[M]+ 211.12030 150.8
[M]- 211.12140 150.8
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