CID 2534992

N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

Structural Information

Molecular Formula
C13H13NO2S
SMILES
C1COC2=C(O1)C=CC(=C2)NCC3=CC=CS3
InChI
InChI=1S/C13H13NO2S/c1-2-11(17-7-1)9-14-10-3-4-12-13(8-10)16-6-5-15-12/h1-4,7-8,14H,5-6,9H2
InChIKey
AWFOJZJTUDVDFF-UHFFFAOYSA-N
Compound name
N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.0667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07398 151.6
[M+Na]+ 270.05592 164.3
[M+NH4]+ 265.10052 161.8
[M+K]+ 286.02986 157.2
[M-H]- 246.05942 159.7
[M+Na-2H]- 268.04137 158.3
[M]+ 247.06615 156.3
[M]- 247.06725 156.3
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.