CID 28781798

933737-25-8

Structural Information

Molecular Formula
C8H13N3S
SMILES
C1CN(CCN1)CC2=CSC=N2
InChI
InChI=1S/C8H13N3S/c1-3-11(4-2-9-1)5-8-6-12-7-10-8/h6-7,9H,1-5H2
InChIKey
YRQHAURHWDVVTK-UHFFFAOYSA-N
Compound name
4-(piperazin-1-ylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

183.08302 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.090296 138.5
[M+Na]+ 206.072238 145.1
[M-H]- 182.075744 139.3
[M+NH4]+ 201.116843 155.7
[M+K]+ 222.046178 141.7
[M+H-H2O]+ 166.080280 130.5
[M+HCOO]- 228.081221 151.1
[M+CH3COO]- 242.096871 149.6
[M+Na-2H]- 204.057686 140.0
[M]+ 183.08247142 134.2
[M]- 183.08356858 134.2
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