CID 3058000

N-isopropyl-3,4-methylenedioxyamphetamine hydrochloride

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC(C)CNC(C)CC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C14H21NO2/c1-10(2)8-15-11(3)6-12-4-5-13-14(7-12)17-9-16-13/h4-5,7,10-11,15H,6,8-9H2,1-3H3
InChIKey
QEILDAATRJDFET-UHFFFAOYSA-N
Compound name
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

235.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.2
[M+Na]+ 258.14645 166.4
[M+NH4]+ 253.19105 164.4
[M+K]+ 274.12039 162.9
[M-H]- 234.14995 160.9
[M+Na-2H]- 256.13190 159.1
[M]+ 235.15668 158.9
[M]- 235.15778 158.9
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

patents stripe