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 158.8
[M+Na]+ 278.09182 165.0
[M-H]- 254.09532 164.9
[M+NH4]+ 273.13642 175.4
[M+K]+ 294.06576 164.1
[M+H-H2O]+ 238.09986 152.4
[M+HCOO]- 300.10080 174.5
[M+CH3COO]- 314.11645 198.8
[M+Na-2H]- 276.07727 165.9
[M]+ 255.10205 163.1
[M]- 255.10315 163.1
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.