CID 55296267

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

Structural Information

Molecular Formula
C8H12N2S
SMILES
CC1=NC(=CS1)[C@@H]2CCCN2
InChI
InChI=1S/C8H12N2S/c1-6-10-8(5-11-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m0/s1
InChIKey
YWRBPTPMAPGUPQ-ZETCQYMHSA-N
Compound name
2-methyl-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07211 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.079386 135.9
[M+Na]+ 191.061328 144.5
[M-H]- 167.064834 139.2
[M+NH4]+ 186.105933 157.4
[M+K]+ 207.035268 141.8
[M+H-H2O]+ 151.069370 129.6
[M+HCOO]- 213.070311 152.1
[M+CH3COO]- 227.085961 148.9
[M+Na-2H]- 189.046776 135.2
[M]+ 168.07156142 133.9
[M]- 168.07265858 133.9
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

No patent data available for this compound.