CID 86003245

5-butyl-2-ethyloxazole

Structural Information

Molecular Formula
C9H15NO
SMILES
CCCCC1=CN=C(O1)CC
InChI
InChI=1S/C9H15NO/c1-3-5-6-8-7-10-9(4-2)11-8/h7H,3-6H2,1-2H3
InChIKey
KXXJEDOBYWNPME-UHFFFAOYSA-N
Compound name
5-butyl-2-ethyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 133.1
[M+Na]+ 176.10459 141.5
[M-H]- 152.10809 136.0
[M+NH4]+ 171.14919 153.8
[M+K]+ 192.07853 141.2
[M+H-H2O]+ 136.11263 127.1
[M+HCOO]- 198.11357 156.4
[M+CH3COO]- 212.12922 177.2
[M+Na-2H]- 174.09004 139.2
[M]+ 153.11482 136.7
[M]- 153.11592 136.7
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