CID 522807

2-butyl-4,5-dimethyloxazole

Structural Information

Molecular Formula
C9H15NO
SMILES
CCCCC1=NC(=C(O1)C)C
InChI
InChI=1S/C9H15NO/c1-4-5-6-9-10-7(2)8(3)11-9/h4-6H2,1-3H3
InChIKey
VAGMYBQNOAXNOV-UHFFFAOYSA-N
Compound name
2-butyl-4,5-dimethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

153.11537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 132.5
[M+Na]+ 176.10459 141.9
[M-H]- 152.10809 135.8
[M+NH4]+ 171.14919 153.6
[M+K]+ 192.07853 141.6
[M+H-H2O]+ 136.11263 126.9
[M+HCOO]- 198.11357 155.8
[M+CH3COO]- 212.12922 178.3
[M+Na-2H]- 174.09004 138.0
[M]+ 153.11482 136.5
[M]- 153.11592 136.5
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