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]+ 299.15208 173.7
[M+Na]+ 321.13402 179.0
[M-H]- 297.13752 179.6
[M+NH4]+ 316.17862 188.4
[M+K]+ 337.10796 177.6
[M+H-H2O]+ 281.14206 166.6
[M+HCOO]- 343.14300 189.6
[M+CH3COO]- 357.15865 211.0
[M+Na-2H]- 319.11947 179.2
[M]+ 298.14425 178.4
[M]- 298.14535 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.