CID 7537662

859851-03-9

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CNCC1=C2C(=CS1)OCCO2
InChI
InChI=1S/C8H11NO2S/c1-9-4-7-8-6(5-12-7)10-2-3-11-8/h5,9H,2-4H2,1H3
InChIKey
OKANPAKWXRYBAJ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.05106 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 135.3
[M+Na]+ 208.04028 143.2
[M-H]- 184.04378 141.2
[M+NH4]+ 203.08488 155.9
[M+K]+ 224.01422 143.4
[M+H-H2O]+ 168.04832 130.6
[M+HCOO]- 230.04926 152.8
[M+CH3COO]- 244.06491 149.2
[M+Na-2H]- 206.02573 141.3
[M]+ 185.05051 137.7
[M]- 185.05161 137.7
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.