CID 55298425

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

Structural Information

Molecular Formula
C5H8ClNO
SMILES
CC1CC(=NO1)CCl
InChI
InChI=1S/C5H8ClNO/c1-4-2-5(3-6)7-8-4/h4H,2-3H2,1H3
InChIKey
CQVCZCBMDJDEIS-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-methyl-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

133.02943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.03671 123.5
[M+Na]+ 156.01865 133.1
[M-H]- 132.02215 126.3
[M+NH4]+ 151.06325 145.5
[M+K]+ 171.99259 132.0
[M+H-H2O]+ 116.02669 118.6
[M+HCOO]- 178.02763 141.8
[M+CH3COO]- 192.04328 169.3
[M+Na-2H]- 154.00410 130.0
[M]+ 133.02888 125.7
[M]- 133.02998 125.7
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