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

1325
Patents

111.06841 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 120.0
[M+Na]+ 134.057628 128.4
[M-H]- 110.061134 123.1
[M+NH4]+ 129.102233 142.0
[M+K]+ 150.031568 129.4
[M+H-H2O]+ 94.065670 114.4
[M+HCOO]- 156.066611 143.3
[M+CH3COO]- 170.082261 167.8
[M+Na-2H]- 132.043076 127.1
[M]+ 111.06786142 121.4
[M]- 111.06895858 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