CID 13351033

29068-23-3

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC(C)C1=NOC(=O)C1
InChI
InChI=1S/C6H9NO2/c1-4(2)5-3-6(8)9-7-5/h4H,3H2,1-2H3
InChIKey
HFEOSWXTUREPBP-UHFFFAOYSA-N
Compound name
3-propan-2-yl-4H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

127.06333 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 124.3
[M+Na]+ 150.05255 135.2
[M+NH4]+ 145.09715 132.2
[M+K]+ 166.02649 132.8
[M-H]- 126.05605 125.7
[M+Na-2H]- 148.03800 128.5
[M]+ 127.06278 126.0
[M]- 127.06388 126.0
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