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

220
Patents

133.02943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 120.9
[M+Na]+ 156.018648 131.4
[M-H]- 132.022154 124.2
[M+NH4]+ 151.063253 145.1
[M+K]+ 171.992588 130.6
[M+H-H2O]+ 116.026690 117.0
[M+HCOO]- 178.027631 139.4
[M+CH3COO]- 192.043281 168.9
[M+Na-2H]- 154.004096 128.9
[M]+ 133.02888142 123.4
[M]- 133.02997858 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