CID 2513439

4-methyl-2-(pyrrolidin-1-yl)-1,3-thiazole

Structural Information

Molecular Formula
C8H12N2S
SMILES
CC1=CSC(=N1)N2CCCC2
InChI
InChI=1S/C8H12N2S/c1-7-6-11-8(9-7)10-4-2-3-5-10/h6H,2-5H2,1H3
InChIKey
XFAABPUSPQCRIY-UHFFFAOYSA-N
Compound name
4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

168.07211 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 136.1
[M+Na]+ 191.06133 146.9
[M+NH4]+ 186.10593 145.7
[M+K]+ 207.03527 142.1
[M-H]- 167.06483 138.8
[M+Na-2H]- 189.04678 141.6
[M]+ 168.07156 138.7
[M]- 168.07266 138.7
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