CID 72214564

2-(2-chloro-1,3-oxazol-4-yl)propan-2-ol

Structural Information

Molecular Formula
C6H8ClNO2
SMILES
CC(C)(C1=COC(=N1)Cl)O
InChI
InChI=1S/C6H8ClNO2/c1-6(2,9)4-3-10-5(7)8-4/h3,9H,1-2H3
InChIKey
QDMNNPBCEDQYCJ-UHFFFAOYSA-N
Compound name
2-(2-chloro-1,3-oxazol-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.02435 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.031626 129.7
[M+Na]+ 184.013568 139.9
[M-H]- 160.017074 131.9
[M+NH4]+ 179.058173 150.2
[M+K]+ 199.987508 138.3
[M+H-H2O]+ 144.021610 125.5
[M+HCOO]- 206.022551 146.4
[M+CH3COO]- 220.038201 171.6
[M+Na-2H]- 181.999016 137.1
[M]+ 161.02380142 132.9
[M]- 161.02489858 132.9
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.