CID 818281

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

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 144.4
[M+Na]+ 222.10354 151.3
[M-H]- 198.10704 145.4
[M+NH4]+ 217.14814 163.4
[M+K]+ 238.07748 148.3
[M+H-H2O]+ 182.11158 137.3
[M+HCOO]- 244.11252 155.3
[M+CH3COO]- 258.12817 155.4
[M+Na-2H]- 220.08899 145.1
[M]+ 199.11377 139.7
[M]- 199.11487 139.7
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