CID 118978486

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

Structural Information

Molecular Formula
C4H6ClNO
SMILES
C1CON=C1CCl
InChI
InChI=1S/C4H6ClNO/c5-3-4-1-2-7-6-4/h1-3H2
InChIKey
AMHRAISHQRLWGU-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

119.013794 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 118.2
[M+Na]+ 142.00301 130.7
[M+NH4]+ 137.04762 127.5
[M+K]+ 157.97695 126.4
[M-H]- 118.00652 120.5
[M+Na-2H]- 139.98846 124.2
[M]+ 119.01325 120.8
[M]- 119.01434 120.8
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

patents stripe