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

99
Patents

160.10342 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.110696 134.4
[M+Na]+ 183.092638 140.9
[M-H]- 159.096144 134.8
[M+NH4]+ 178.137243 153.4
[M+K]+ 199.066578 139.2
[M+H-H2O]+ 143.100680 127.7
[M+HCOO]- 205.101621 147.5
[M+CH3COO]- 219.117271 176.8
[M+Na-2H]- 181.078086 136.4
[M]+ 160.10287142 133.0
[M]- 160.10396858 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