CID 21650900

374553-32-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1318
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

No literature data available for this compound.

Patent stripe

patents stripe