CID 23443442

2375270-30-5

Structural Information

Molecular Formula
C5H6ClNO
SMILES
CC1=C(OC(=N1)Cl)C
InChI
InChI=1S/C5H6ClNO/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKey
AEPSMLKSUJDZRN-UHFFFAOYSA-N
Compound name
2-chloro-4,5-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

131.0138 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02108 120.7
[M+Na]+ 154.00302 132.4
[M-H]- 130.00652 124.3
[M+NH4]+ 149.04762 143.3
[M+K]+ 169.97696 131.1
[M+H-H2O]+ 114.01106 116.3
[M+HCOO]- 176.01200 140.5
[M+CH3COO]- 190.02765 170.1
[M+Na-2H]- 151.98847 127.7
[M]+ 131.01325 124.8
[M]- 131.01435 124.8
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