CID 82506609

1541445-41-3

Structural Information

Molecular Formula
C8H17N3OS
SMILES
CSCC(C(=O)N1CCNCC1)N
InChI
InChI=1S/C8H17N3OS/c1-13-6-7(9)8(12)11-4-2-10-3-5-11/h7,10H,2-6,9H2,1H3
InChIKey
XPLBGXJGPQELMC-UHFFFAOYSA-N
Compound name
2-amino-3-methylsulfanyl-1-piperazin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10924 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11652 145.3
[M+Na]+ 226.09846 152.3
[M+NH4]+ 221.14306 151.9
[M+K]+ 242.07240 146.6
[M-H]- 202.10196 144.9
[M+Na-2H]- 224.08391 147.2
[M]+ 203.10869 146.1
[M]- 203.10979 146.1
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.