CID 2250967

[(2,4-dimethoxyphenyl)methyl](ethyl)amine

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCNCC1=C(C=C(C=C1)OC)OC
InChI
InChI=1S/C11H17NO2/c1-4-12-8-9-5-6-10(13-2)7-11(9)14-3/h5-7,12H,4,8H2,1-3H3
InChIKey
ZHSIYZDPCFMJGZ-UHFFFAOYSA-N
Compound name
N-[(2,4-dimethoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

195.12593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 142.8
[M+Na]+ 218.115148 150.3
[M-H]- 194.118654 146.7
[M+NH4]+ 213.159753 162.5
[M+K]+ 234.089088 148.9
[M+H-H2O]+ 178.123190 136.5
[M+HCOO]- 240.124131 168.2
[M+CH3COO]- 254.139781 188.5
[M+Na-2H]- 216.100596 148.8
[M]+ 195.12538142 146.4
[M]- 195.12647858 146.4
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