CID 528406

2-methyl-4-propyloxazole

Structural Information

Molecular Formula
C7H11NO
SMILES
CCCC1=COC(=N1)C
InChI
InChI=1S/C7H11NO/c1-3-4-7-5-9-6(2)8-7/h5H,3-4H2,1-2H3
InChIKey
RNLOKHYLXARFPN-UHFFFAOYSA-N
Compound name
2-methyl-4-propyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

125.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 123.6
[M+Na]+ 148.073278 132.8
[M-H]- 124.076784 126.8
[M+NH4]+ 143.117883 145.4
[M+K]+ 164.047218 133.1
[M+H-H2O]+ 108.081320 118.0
[M+HCOO]- 170.082261 147.5
[M+CH3COO]- 184.097911 171.1
[M+Na-2H]- 146.058726 130.8
[M]+ 125.08351142 126.4
[M]- 125.08460858 126.4
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