CID 14738583

23000-12-6

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=C(N=C(O1)C)C(=O)C
InChI
InChI=1S/C7H9NO2/c1-4(9)7-5(2)10-6(3)8-7/h1-3H3
InChIKey
XWLBBTGITHATTI-UHFFFAOYSA-N
Compound name
1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

139.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 125.1
[M+Na]+ 162.05254 135.2
[M-H]- 138.05604 128.9
[M+NH4]+ 157.09714 146.5
[M+K]+ 178.02648 135.8
[M+H-H2O]+ 122.06058 119.9
[M+HCOO]- 184.06152 148.5
[M+CH3COO]- 198.07717 174.2
[M+Na-2H]- 160.03799 130.4
[M]+ 139.06277 128.4
[M]- 139.06387 128.4
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