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]+ 206.05785 130.9
[M+Na]+ 228.03979 137.8
[M-H]- 204.04329 135.9
[M+NH4]+ 223.08439 143.4
[M+K]+ 244.01373 140.0
[M+H-H2O]+ 188.04783 122.1
[M+HCOO]- 250.04877 145.0
[M+CH3COO]- 264.06442 181.1
[M+Na-2H]- 226.02524 137.8
[M]+ 205.05002 142.0
[M]- 205.05112 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.