CID 767904

4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H15N3S
SMILES
C1CCN(CC1)CC2=CSC(=N2)N
InChI
InChI=1S/C9H15N3S/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12/h7H,1-6H2,(H2,10,11)
InChIKey
HHQPZGLNMNUGFQ-UHFFFAOYSA-N
Compound name
4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

12
Patents

197.09866 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.105936 142.0
[M+Na]+ 220.087878 148.5
[M-H]- 196.091384 145.2
[M+NH4]+ 215.132483 160.5
[M+K]+ 236.061818 145.3
[M+H-H2O]+ 180.095920 134.4
[M+HCOO]- 242.096861 157.4
[M+CH3COO]- 256.112511 153.7
[M+Na-2H]- 218.073326 142.7
[M]+ 197.09811142 138.1
[M]- 197.09920858 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe