CID 145913256

3-{[3-(chloromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}oxetan-3-ol

Structural Information

Molecular Formula
C8H12ClNO3
SMILES
C1C(ON=C1CCl)CC2(COC2)O
InChI
InChI=1S/C8H12ClNO3/c9-3-6-1-7(13-10-6)2-8(11)4-12-5-8/h7,11H,1-5H2
InChIKey
FLFKLMXWRJMOSU-UHFFFAOYSA-N
Compound name
3-[[3-(chloromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05057 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.057846 130.9
[M+Na]+ 228.039788 137.8
[M-H]- 204.043294 135.9
[M+NH4]+ 223.084393 143.4
[M+K]+ 244.013728 140.0
[M+H-H2O]+ 188.047830 122.1
[M+HCOO]- 250.048771 145.0
[M+CH3COO]- 264.064421 181.1
[M+Na-2H]- 226.025236 137.8
[M]+ 205.05002142 142.0
[M]- 205.05111858 142.0
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.