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]+ 190.02655 124.7
[M+Na]+ 212.00849 133.0
[M-H]- 188.01199 130.2
[M+NH4]+ 207.05309 137.9
[M+K]+ 227.98243 135.3
[M+H-H2O]+ 172.01653 116.0
[M+HCOO]- 234.01747 140.5
[M+CH3COO]- 248.03312 177.8
[M+Na-2H]- 209.99394 133.0
[M]+ 189.01872 136.9
[M]- 189.01982 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.