CID 24692624

2-(4-methylpiperazin-1-yl)ethanethioamide

Structural Information

Molecular Formula
C7H15N3S
SMILES
CN1CCN(CC1)CC(=S)N
InChI
InChI=1S/C7H15N3S/c1-9-2-4-10(5-3-9)6-7(8)11/h2-6H2,1H3,(H2,8,11)
InChIKey
KAUKVYOVJQGSKW-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

173.09866 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10594 138.2
[M+Na]+ 196.08788 143.7
[M-H]- 172.09138 137.9
[M+NH4]+ 191.13248 155.7
[M+K]+ 212.06182 141.2
[M+H-H2O]+ 156.09592 131.2
[M+HCOO]- 218.09686 150.6
[M+CH3COO]- 232.11251 180.8
[M+Na-2H]- 194.07333 138.5
[M]+ 173.09811 133.6
[M]- 173.09921 133.6
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