CID 9255

Oxazole

Structural Information

Molecular Formula
C3H3NO
SMILES
C1=COC=N1
InChI
InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
InChIKey
ZCQWOFVYLHDMMC-UHFFFAOYSA-N
Compound name
1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9773
References

41146
Patents

69.02146 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.028736 105.4
[M+Na]+ 92.010678 114.4
[M-H]- 68.014184 108.5
[M+NH4]+ 87.055283 128.8
[M+K]+ 107.98462 115.9
[M+H-H2O]+ 52.018720 100.0
[M+HCOO]- 114.01966 130.7
[M+CH3COO]- 128.03531 156.9
[M+Na-2H]- 89.996126 116.2
[M]+ 69.020911 106.0
[M]- 69.022009 106.0
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