CID 18402773

2-(chloromethyl)-4,5-dihydro-1,3-oxazole

Structural Information

Molecular Formula
C4H6ClNO
SMILES
C1COC(=N1)CCl
InChI
InChI=1S/C4H6ClNO/c5-3-4-6-1-2-7-4/h1-3H2
InChIKey
DZIFAUJSYXNYAR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

119.013794 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 119.1
[M+Na]+ 142.00301 128.1
[M-H]- 118.00652 121.7
[M+NH4]+ 137.04762 141.4
[M+K]+ 157.97695 127.4
[M+H-H2O]+ 102.01105 114.0
[M+HCOO]- 164.01200 137.7
[M+CH3COO]- 178.02764 165.2
[M+Na-2H]- 139.98846 126.9
[M]+ 119.01325 120.5
[M]- 119.01434 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe