CID 177798060

2-bromo-5-methyl-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C5H3BrN2O
SMILES
CC1=C(N=C(O1)Br)C#N
InChI
InChI=1S/C5H3BrN2O/c1-3-4(2-7)8-5(6)9-3/h1H3
InChIKey
LTVOJRILJFXPSX-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.94289 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.950166 122.4
[M+Na]+ 208.932108 137.9
[M-H]- 184.935614 126.7
[M+NH4]+ 203.976713 142.9
[M+K]+ 224.906048 128.8
[M+H-H2O]+ 168.940150 115.4
[M+HCOO]- 230.941091 143.2
[M+CH3COO]- 244.956741 190.5
[M+Na-2H]- 206.917556 130.7
[M]+ 185.94234142 136.3
[M]- 185.94343858 136.3
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

No patent data available for this compound.