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]+ 169.079386 135.5
[M+Na]+ 191.061328 144.6
[M-H]- 167.064834 140.3
[M+NH4]+ 186.105933 157.8
[M+K]+ 207.035268 142.8
[M+H-H2O]+ 151.069370 128.9
[M+HCOO]- 213.070311 153.2
[M+CH3COO]- 227.085961 149.3
[M+Na-2H]- 189.046776 135.2
[M]+ 168.07156142 135.4
[M]- 168.07265858 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