CID 52319808

1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine

Structural Information

Molecular Formula
C9H15N3S
SMILES
CC1=NC=C(S1)CN2CCNCC2
InChI
InChI=1S/C9H15N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,10H,2-5,7H2,1H3
InChIKey
JBVOQOLBRWVANK-UHFFFAOYSA-N
Compound name
2-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.09866 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.105936 143.2
[M+Na]+ 220.087878 150.2
[M-H]- 196.091384 144.2
[M+NH4]+ 215.132483 160.2
[M+K]+ 236.061818 146.5
[M+H-H2O]+ 180.095920 135.3
[M+HCOO]- 242.096861 155.4
[M+CH3COO]- 256.112511 154.2
[M+Na-2H]- 218.073326 143.5
[M]+ 197.09811142 139.6
[M]- 197.09920858 139.6
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