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]+ 134.036706 123.5
[M+Na]+ 156.018648 133.1
[M-H]- 132.022154 126.3
[M+NH4]+ 151.063253 145.5
[M+K]+ 171.992588 132.0
[M+H-H2O]+ 116.026690 118.6
[M+HCOO]- 178.027631 141.8
[M+CH3COO]- 192.043281 169.3
[M+Na-2H]- 154.004096 130.0
[M]+ 133.02888142 125.7
[M]- 133.02997858 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