CID 145913121

3-[3-(chloromethyl)-1,2-oxazol-5-yl]oxetan-3-ol

Structural Information

Molecular Formula
C7H8ClNO3
SMILES
C1C(CO1)(C2=CC(=NO2)CCl)O
InChI
InChI=1S/C7H8ClNO3/c8-2-5-1-6(12-9-5)7(10)3-11-4-7/h1,10H,2-4H2
InChIKey
KSEFJSZBOOOVPU-UHFFFAOYSA-N
Compound name
3-[3-(chloromethyl)-1,2-oxazol-5-yl]oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.01927 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.026546 124.7
[M+Na]+ 212.008488 133.0
[M-H]- 188.011994 130.2
[M+NH4]+ 207.053093 137.9
[M+K]+ 227.982428 135.3
[M+H-H2O]+ 172.016530 116.0
[M+HCOO]- 234.017471 140.5
[M+CH3COO]- 248.033121 177.8
[M+Na-2H]- 209.993936 133.0
[M]+ 189.01872142 136.9
[M]- 189.01981858 136.9
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.