CID 54595409

1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine dihydrochloride

Structural Information

Molecular Formula
C8H15N3S
SMILES
CC1CN=C(S1)N2CCNCC2
InChI
InChI=1S/C8H15N3S/c1-7-6-10-8(12-7)11-4-2-9-3-5-11/h7,9H,2-6H2,1H3
InChIKey
BRIRJMBKAISUEE-UHFFFAOYSA-N
Compound name
5-methyl-2-piperazin-1-yl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.09866 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10594 141.1
[M+Na]+ 208.08788 147.6
[M-H]- 184.09138 142.0
[M+NH4]+ 203.13248 158.6
[M+K]+ 224.06182 144.5
[M+H-H2O]+ 168.09592 133.4
[M+HCOO]- 230.09686 152.2
[M+CH3COO]- 244.11251 152.0
[M+Na-2H]- 206.07333 140.9
[M]+ 185.09811 135.7
[M]- 185.09921 135.7
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.