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

10
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 135.5
[M+Na]+ 191.06133 144.6
[M-H]- 167.06483 140.3
[M+NH4]+ 186.10593 157.8
[M+K]+ 207.03527 142.8
[M+H-H2O]+ 151.06937 128.9
[M+HCOO]- 213.07031 153.2
[M+CH3COO]- 227.08596 149.3
[M+Na-2H]- 189.04678 135.2
[M]+ 168.07156 135.4
[M]- 168.07266 135.4
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