CID 57708

1,4-benzodioxan-2-propylamine, n-(2-chloroethyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CN(CCCC1COC2=CC=CC=C2O1)CCCl
InChI
InChI=1S/C14H20ClNO2/c1-16(10-8-15)9-4-5-12-11-17-13-6-2-3-7-14(13)18-12/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKey
QXAKPIJBAKYUJW-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11826 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.125536 163.7
[M+Na]+ 292.107478 169.4
[M-H]- 268.110984 169.5
[M+NH4]+ 287.152083 179.6
[M+K]+ 308.081418 168.2
[M+H-H2O]+ 252.115520 157.0
[M+HCOO]- 314.116461 178.9
[M+CH3COO]- 328.132111 201.8
[M+Na-2H]- 290.092926 170.1
[M]+ 269.11771142 168.3
[M]- 269.11880858 168.3
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.