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]+ 212.12813 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

No literature data available for this compound.

Patent stripe

patents stripe