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 158.3
[M+Na]+ 258.14645 163.5
[M-H]- 234.14995 163.4
[M+NH4]+ 253.19105 175.9
[M+K]+ 274.12039 163.6
[M+H-H2O]+ 218.15449 152.2
[M+HCOO]- 280.15543 177.8
[M+CH3COO]- 294.17108 196.0
[M+Na-2H]- 256.13190 162.2
[M]+ 235.15668 160.5
[M]- 235.15778 160.5
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