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

36
Patents

131.0138 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.021076 120.7
[M+Na]+ 154.003018 132.4
[M-H]- 130.006524 124.3
[M+NH4]+ 149.047623 143.3
[M+K]+ 169.976958 131.1
[M+H-H2O]+ 114.011060 116.3
[M+HCOO]- 176.012001 140.5
[M+CH3COO]- 190.027651 170.1
[M+Na-2H]- 151.988466 127.7
[M]+ 131.01325142 124.8
[M]- 131.01434858 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