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

53
Patents

183.08302 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09030 138.5
[M+Na]+ 206.07224 145.1
[M-H]- 182.07574 139.3
[M+NH4]+ 201.11684 155.7
[M+K]+ 222.04618 141.7
[M+H-H2O]+ 166.08028 130.5
[M+HCOO]- 228.08122 151.1
[M+CH3COO]- 242.09687 149.6
[M+Na-2H]- 204.05769 140.0
[M]+ 183.08247 134.2
[M]- 183.08357 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