CID 165664893

1-[5-(methoxymethyl)thiophen-3-yl]piperazine dihydrochloride

Structural Information

Molecular Formula
C10H16N2OS
SMILES
COCC1=CC(=CS1)N2CCNCC2
InChI
InChI=1S/C10H16N2OS/c1-13-7-10-6-9(8-14-10)12-4-2-11-3-5-12/h6,8,11H,2-5,7H2,1H3
InChIKey
OWUDNEDCQUKPPT-UHFFFAOYSA-N
Compound name
1-[5-(methoxymethyl)thiophen-3-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09833 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10561 146.7
[M+Na]+ 235.08755 153.1
[M-H]- 211.09105 148.9
[M+NH4]+ 230.13215 164.4
[M+K]+ 251.06149 149.7
[M+H-H2O]+ 195.09559 139.4
[M+HCOO]- 257.09653 160.1
[M+CH3COO]- 271.11218 157.9
[M+Na-2H]- 233.07300 146.8
[M]+ 212.09778 144.4
[M]- 212.09888 144.4
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.