CID 11665417

3-chloro-5,5-dimethyl-4,5-dihydro-1,2-oxazole

Structural Information

Molecular Formula
C5H8ClNO
SMILES
CC1(CC(=NO1)Cl)C
InChI
InChI=1S/C5H8ClNO/c1-5(2)3-4(6)7-8-5/h3H2,1-2H3
InChIKey
YMCWJQIZJIKFHO-UHFFFAOYSA-N
Compound name
3-chloro-5,5-dimethyl-4H-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

133.02943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.03671 120.9
[M+Na]+ 156.01865 131.4
[M-H]- 132.02215 124.2
[M+NH4]+ 151.06325 145.1
[M+K]+ 171.99259 130.6
[M+H-H2O]+ 116.02669 117.0
[M+HCOO]- 178.02763 139.4
[M+CH3COO]- 192.04328 168.9
[M+Na-2H]- 154.00410 128.9
[M]+ 133.02888 123.4
[M]- 133.02998 123.4
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