CID 47002512

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-amine

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C)(CN)C1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C12H17NO2/c1-12(2,8-13)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7H,5-6,8,13H2,1-2H3
InChIKey
SLTKFVZHYFPVML-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.5
[M+Na]+ 230.11515 152.8
[M-H]- 206.11865 151.5
[M+NH4]+ 225.15975 163.5
[M+K]+ 246.08909 152.8
[M+H-H2O]+ 190.12319 140.6
[M+HCOO]- 252.12413 164.5
[M+CH3COO]- 266.13978 188.5
[M+Na-2H]- 228.10060 155.5
[M]+ 207.12538 145.8
[M]- 207.12648 145.8
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

No patent data available for this compound.