CID 72214564

1393584-83-2

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]+ 162.03163 129.7
[M+Na]+ 184.01357 139.9
[M-H]- 160.01707 131.9
[M+NH4]+ 179.05817 150.2
[M+K]+ 199.98751 138.3
[M+H-H2O]+ 144.02161 125.5
[M+HCOO]- 206.02255 146.4
[M+CH3COO]- 220.03820 171.6
[M+Na-2H]- 181.99902 137.1
[M]+ 161.02380 132.9
[M]- 161.02490 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.