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]+ 154.032116 132.1
[M+Na]+ 176.014058 143.5
[M-H]- 152.017564 133.8
[M+NH4]+ 171.058663 152.1
[M+K]+ 191.987998 140.8
[M+H-H2O]+ 136.022100 120.1
[M+HCOO]- 198.023041 146.4
[M+CH3COO]- 212.038691 181.5
[M+Na-2H]- 173.999506 134.7
[M]+ 153.02429142 130.1
[M]- 153.02538858 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.