CID 167736248

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

Structural Information

Molecular Formula
C7H7NOS
SMILES
C#CCOCC1=NC=CS1
InChI
InChI=1S/C7H7NOS/c1-2-4-9-6-7-8-3-5-10-7/h1,3,5H,4,6H2
InChIKey
PFMVHMLVXUWSOH-UHFFFAOYSA-N
Compound name
2-(prop-2-ynoxymethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.02484 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 132.1
[M+Na]+ 176.01406 143.5
[M-H]- 152.01756 133.8
[M+NH4]+ 171.05866 152.1
[M+K]+ 191.98800 140.8
[M+H-H2O]+ 136.02210 120.1
[M+HCOO]- 198.02304 146.4
[M+CH3COO]- 212.03869 181.5
[M+Na-2H]- 173.99951 134.7
[M]+ 153.02429 130.1
[M]- 153.02539 130.1
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.