CID 529034

5-methyl-2-propyloxazole

Structural Information

Molecular Formula
C7H11NO
SMILES
CCCC1=NC=C(O1)C
InChI
InChI=1S/C7H11NO/c1-3-4-7-8-5-6(2)9-7/h5H,3-4H2,1-2H3
InChIKey
NZRDFBNIWMSPHP-UHFFFAOYSA-N
Compound name
5-methyl-2-propyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

125.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 123.6
[M+Na]+ 148.07328 132.8
[M-H]- 124.07678 126.8
[M+NH4]+ 143.11788 145.4
[M+K]+ 164.04722 133.1
[M+H-H2O]+ 108.08132 118.0
[M+HCOO]- 170.08226 147.5
[M+CH3COO]- 184.09791 171.1
[M+Na-2H]- 146.05873 130.8
[M]+ 125.08351 126.4
[M]- 125.08461 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

literature stripe

Patent stripe

patents stripe