CID 10344862

2-(4-methylpiperazin-1-yl)ethane-1-thiol dihydrochloride

Structural Information

Molecular Formula
C7H16N2S
SMILES
CN1CCN(CC1)CCS
InChI
InChI=1S/C7H16N2S/c1-8-2-4-9(5-3-8)6-7-10/h10H,2-7H2,1H3
InChIKey
GKXASWWKVLIZQU-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

160.10342 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11070 134.4
[M+Na]+ 183.09264 140.9
[M-H]- 159.09614 134.8
[M+NH4]+ 178.13724 153.4
[M+K]+ 199.06658 139.2
[M+H-H2O]+ 143.10068 127.7
[M+HCOO]- 205.10162 147.5
[M+CH3COO]- 219.11727 176.8
[M+Na-2H]- 181.07809 136.4
[M]+ 160.10287 133.0
[M]- 160.10397 133.0
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