CID 15722474

Methyl[(2,4,6-trimethoxyphenyl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C11H17NO3
SMILES
CNCC1=C(C=C(C=C1OC)OC)OC
InChI
InChI=1S/C11H17NO3/c1-12-7-9-10(14-3)5-8(13-2)6-11(9)15-4/h5-6,12H,7H2,1-4H3
InChIKey
SROLXXNHMOCLJH-UHFFFAOYSA-N
Compound name
N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

211.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 145.4
[M+Na]+ 234.110068 153.7
[M-H]- 210.113574 149.6
[M+NH4]+ 229.154673 164.6
[M+K]+ 250.084008 152.9
[M+H-H2O]+ 194.118110 139.1
[M+HCOO]- 256.119051 171.0
[M+CH3COO]- 270.134701 191.8
[M+Na-2H]- 232.095516 150.7
[M]+ 211.12030142 150.8
[M]- 211.12139858 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

No literature data available for this compound.

Patent stripe

patents stripe