CID 57708

100310-84-7

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]+ 270.12554 161.6
[M+Na]+ 292.10748 174.7
[M+NH4]+ 287.15208 170.9
[M+K]+ 308.08142 167.0
[M-H]- 268.11098 167.9
[M+Na-2H]- 290.09293 166.7
[M]+ 269.11771 165.7
[M]- 269.11881 165.7
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.