CID 12214112

32999-01-2

Structural Information

Molecular Formula
C6H9NO
SMILES
CC(C)C1=CN=CO1
InChI
InChI=1S/C6H9NO/c1-5(2)6-3-7-4-8-6/h3-5H,1-2H3
InChIKey
FGBZKVZPZYYCLH-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

909
Patents

111.06841 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 120.0
[M+Na]+ 134.05763 128.4
[M-H]- 110.06113 123.1
[M+NH4]+ 129.10223 142.0
[M+K]+ 150.03157 129.4
[M+H-H2O]+ 94.065670 114.4
[M+HCOO]- 156.06661 143.3
[M+CH3COO]- 170.08226 167.8
[M+Na-2H]- 132.04308 127.1
[M]+ 111.06786 121.4
[M]- 111.06896 121.4
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