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

1
Patents

222.13683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 149.5
[M+Na]+ 245.126048 156.2
[M-H]- 221.129554 154.5
[M+NH4]+ 240.170653 169.2
[M+K]+ 261.099988 155.5
[M+H-H2O]+ 205.134090 143.7
[M+HCOO]- 267.135031 172.1
[M+CH3COO]- 281.150681 192.2
[M+Na-2H]- 243.111496 157.7
[M]+ 222.13628142 150.9
[M]- 222.13737858 150.9
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