CID 818281

303798-21-2

Structural Information

Molecular Formula
C9H17N3S
SMILES
CC1(CN=C(S1)N2CCNCC2)C
InChI
InChI=1S/C9H17N3S/c1-9(2)7-11-8(13-9)12-5-3-10-4-6-12/h10H,3-7H2,1-2H3
InChIKey
BKUDSGWZPKYESY-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

199.11432 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12160 145.2
[M+Na]+ 222.10354 155.3
[M+NH4]+ 217.14814 155.0
[M+K]+ 238.07748 147.3
[M-H]- 198.10704 146.9
[M+Na-2H]- 220.08899 151.2
[M]+ 199.11377 147.5
[M]- 199.11487 147.5
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