CID 22976962

5-chloro-3-methyl-1,2-oxazole

Structural Information

Molecular Formula
C4H4ClNO
SMILES
CC1=NOC(=C1)Cl
InChI
InChI=1S/C4H4ClNO/c1-3-2-4(5)7-6-3/h2H,1H3
InChIKey
JKYWQVCSFFZMSB-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

116.99814 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.005416 116.4
[M+Na]+ 139.987358 127.5
[M-H]- 115.990864 119.8
[M+NH4]+ 135.031963 139.3
[M+K]+ 155.961298 126.6
[M+H-H2O]+ 99.995400 111.8
[M+HCOO]- 161.996341 136.6
[M+CH3COO]- 176.011991 166.0
[M+Na-2H]- 137.972806 124.6
[M]+ 116.99759142 119.7
[M]- 116.99868858 119.7
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