CID 57701

100310-80-3

Structural Information

Molecular Formula
C15H23ClN2O2
SMILES
CCN(CC)CCNCC1=CC(=CC2=C1OCOC2)Cl
InChI
InChI=1S/C15H23ClN2O2/c1-3-18(4-2)6-5-17-9-12-7-14(16)8-13-10-19-11-20-15(12)13/h7-8,17H,3-6,9-11H2,1-2H3
InChIKey
LJSIAAAKUWQIAC-UHFFFAOYSA-N
Compound name
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1448 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.152076 173.7
[M+Na]+ 321.134018 179.0
[M-H]- 297.137524 179.6
[M+NH4]+ 316.178623 188.4
[M+K]+ 337.107958 177.6
[M+H-H2O]+ 281.142060 166.6
[M+HCOO]- 343.143001 189.6
[M+CH3COO]- 357.158651 211.0
[M+Na-2H]- 319.119466 179.2
[M]+ 298.14425142 178.4
[M]- 298.14534858 178.4
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.