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 149.5
[M+Na]+ 245.12605 156.2
[M-H]- 221.12955 154.5
[M+NH4]+ 240.17065 169.2
[M+K]+ 261.09999 155.5
[M+H-H2O]+ 205.13409 143.7
[M+HCOO]- 267.13503 172.1
[M+CH3COO]- 281.15068 192.2
[M+Na-2H]- 243.11150 157.7
[M]+ 222.13628 150.9
[M]- 222.13738 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