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

17
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 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

No literature data available for this compound.

Patent stripe

patents stripe