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]+ 213.105606 146.7
[M+Na]+ 235.087548 153.1
[M-H]- 211.091054 148.9
[M+NH4]+ 230.132153 164.4
[M+K]+ 251.061488 149.7
[M+H-H2O]+ 195.095590 139.4
[M+HCOO]- 257.096531 160.1
[M+CH3COO]- 271.112181 157.9
[M+Na-2H]- 233.072996 146.8
[M]+ 212.09778142 144.4
[M]- 212.09887858 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.