CID 138961

2,4-dimethyloxazole

Structural Information

Molecular Formula
C5H7NO
SMILES
CC1=COC(=N1)C
InChI
InChI=1S/C5H7NO/c1-4-3-7-5(2)6-4/h3H,1-2H3
InChIKey
PSOZJOZKEVZLKZ-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1365
Patents

97.052765 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 114.0
[M+Na]+ 120.04198 124.1
[M-H]- 96.045489 117.6
[M+NH4]+ 115.08659 137.0
[M+K]+ 136.01592 124.9
[M+H-H2O]+ 80.050025 108.9
[M+HCOO]- 142.05097 138.6
[M+CH3COO]- 156.06662 165.0
[M+Na-2H]- 118.02743 122.3
[M]+ 97.052216 116.1
[M]- 97.053314 116.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe