CID 48352

N-(2-chloroethyl)-n-ethyl-3,4-methylenedioxybenzylamine hydrochloride

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CCN(CCCl)CC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C12H16ClNO2/c1-2-14(6-5-13)8-10-3-4-11-12(7-10)16-9-15-11/h3-4,7H,2,5-6,8-9H2,1H3
InChIKey
FZJUTOFEUOTHNZ-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08696 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 152.4
[M+Na]+ 264.07618 164.8
[M+NH4]+ 259.12078 161.7
[M+K]+ 280.05012 159.7
[M-H]- 240.07968 158.0
[M+Na-2H]- 262.06163 157.0
[M]+ 241.08641 156.1
[M]- 241.08751 156.1
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.