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]+ 211.14411 147.0
[M+Na]+ 233.12605 153.6
[M-H]- 209.12955 150.2
[M+NH4]+ 228.17065 165.4
[M+K]+ 249.09999 151.8
[M+H-H2O]+ 193.13409 140.2
[M+HCOO]- 255.13503 172.7
[M+CH3COO]- 269.15068 192.9
[M+Na-2H]- 231.11150 152.2
[M]+ 210.13628 148.7
[M]- 210.13738 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.