CID 15083

1,4-benzodioxan, 2-(1-(dimethylamino)ethyl)-

Structural Information

Molecular Formula
C12H17NO2
SMILES
CN(C)CCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C12H17NO2/c1-13(2)8-7-10-9-14-11-5-3-4-6-12(11)15-10/h3-6,10H,7-9H2,1-2H3
InChIKey
PNYSVKJKNJNGPF-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.6
[M+Na]+ 230.11515 152.5
[M-H]- 206.11865 153.2
[M+NH4]+ 225.15975 164.3
[M+K]+ 246.08909 153.8
[M+H-H2O]+ 190.12319 139.7
[M+HCOO]- 252.12413 167.3
[M+CH3COO]- 266.13978 192.1
[M+Na-2H]- 228.10060 154.9
[M]+ 207.12538 148.5
[M]- 207.12648 148.5
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