CID 54593686

(2-aminoethyl)[(2,4-dimethoxyphenyl)methyl]amine dihydrochloride

Structural Information

Molecular Formula
C11H18N2O2
SMILES
COC1=CC(=C(C=C1)CNCCN)OC
InChI
InChI=1S/C11H18N2O2/c1-14-10-4-3-9(8-13-6-5-12)11(7-10)15-2/h3-4,7,13H,5-6,8,12H2,1-2H3
InChIKey
HLZCZXQCKGZBRW-UHFFFAOYSA-N
Compound name
N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.13683 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 147.0
[M+Na]+ 233.126048 153.6
[M-H]- 209.129554 150.2
[M+NH4]+ 228.170653 165.4
[M+K]+ 249.099988 151.8
[M+H-H2O]+ 193.134090 140.2
[M+HCOO]- 255.135031 172.7
[M+CH3COO]- 269.150681 192.9
[M+Na-2H]- 231.111496 152.2
[M]+ 210.13628142 148.7
[M]- 210.13737858 148.7
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

No patent data available for this compound.