CID 75356563

2-[(pyrrolidin-3-yloxy)methyl]-1,3-thiazole

Structural Information

Molecular Formula
C8H12N2OS
SMILES
C1CNCC1OCC2=NC=CS2
InChI
InChI=1S/C8H12N2OS/c1-2-9-5-7(1)11-6-8-10-3-4-12-8/h3-4,7,9H,1-2,5-6H2
InChIKey
BNHTVWFUKJBIGY-UHFFFAOYSA-N
Compound name
2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

184.06703 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 139.0
[M+Na]+ 207.05625 146.5
[M-H]- 183.05975 142.0
[M+NH4]+ 202.10085 159.5
[M+K]+ 223.03019 144.4
[M+H-H2O]+ 167.06429 132.3
[M+HCOO]- 229.06523 155.5
[M+CH3COO]- 243.08088 151.6
[M+Na-2H]- 205.04170 139.1
[M]+ 184.06648 138.0
[M]- 184.06758 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.