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 155.8
[M+Na]+ 264.07618 163.3
[M-H]- 240.07968 162.3
[M+NH4]+ 259.12078 174.8
[M+K]+ 280.05012 162.3
[M+H-H2O]+ 224.08422 150.3
[M+HCOO]- 286.08516 173.8
[M+CH3COO]- 300.10081 195.4
[M+Na-2H]- 262.06163 161.8
[M]+ 241.08641 161.7
[M]- 241.08751 161.7
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.