CID 40125

N-(2-chloroethyl)-n-ethyl-1,4-benzodioxan-2-methylamine hydrochloride

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CCN(CCCl)CC1COC2=CC=CC=C2O1
InChI
InChI=1S/C13H18ClNO2/c1-2-15(8-7-14)9-11-10-16-12-5-3-4-6-13(12)17-11/h3-6,11H,2,7-10H2,1H3
InChIKey
BBKJOXYHLYDPEC-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1026 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 157.0
[M+Na]+ 278.09182 170.3
[M+NH4]+ 273.13642 166.4
[M+K]+ 294.06576 162.8
[M-H]- 254.09532 163.3
[M+Na-2H]- 276.07727 162.3
[M]+ 255.10205 161.1
[M]- 255.10315 161.1
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.