CID 82672270

3-(1,3-benzodioxol-5-yl)-n,2-dimethylpropan-1-amine;hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(CC1=CC2=C(C=C1)OCO2)CNC
InChI
InChI=1S/C12H17NO2/c1-9(7-13-2)5-10-3-4-11-12(6-10)15-8-14-11/h3-4,6,9,13H,5,7-8H2,1-2H3
InChIKey
OUDAACSONIJLOT-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-N,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

207.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.6
[M+Na]+ 230.11515 154.0
[M-H]- 206.11865 153.0
[M+NH4]+ 225.15975 166.5
[M+K]+ 246.08909 154.1
[M+H-H2O]+ 190.12319 141.9
[M+HCOO]- 252.12413 168.9
[M+CH3COO]- 266.13978 189.1
[M+Na-2H]- 228.10060 154.0
[M]+ 207.12538 149.8
[M]- 207.12648 149.8
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