CID 47548

2-(2-(aminoethylamino)ethyl)-2-methyl-1,3-benzodioxole dihydrochloride

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC1(OC2=CC=CC=C2O1)CCNCCN
InChI
InChI=1S/C12H18N2O2/c1-12(6-8-14-9-7-13)15-10-4-2-3-5-11(10)16-12/h2-5,14H,6-9,13H2,1H3
InChIKey
RTRGLOYWQFWDCN-UHFFFAOYSA-N
Compound name
N'-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 150.3
[M+Na]+ 245.12605 160.1
[M+NH4]+ 240.17065 159.8
[M+K]+ 261.09999 154.5
[M-H]- 221.12955 155.5
[M+Na-2H]- 243.11150 155.3
[M]+ 222.13628 153.2
[M]- 222.13738 153.2
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.