CID 73424781

(5-bromooxazol-2-yl)methanol

Structural Information

Molecular Formula
C4H4BrNO2
SMILES
C1=C(OC(=N1)CO)Br
InChI
InChI=1S/C4H4BrNO2/c5-3-1-6-4(2-7)8-3/h1,7H,2H2
InChIKey
NRCNATHPEVHILM-UHFFFAOYSA-N
Compound name
(5-bromo-1,3-oxazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

176.94254 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.949816 125.9
[M+Na]+ 199.931758 139.0
[M-H]- 175.935264 130.8
[M+NH4]+ 194.976363 148.3
[M+K]+ 215.905698 130.3
[M+H-H2O]+ 159.939800 126.5
[M+HCOO]- 221.940741 147.1
[M+CH3COO]- 235.956391 172.7
[M+Na-2H]- 197.917206 135.0
[M]+ 176.94199142 145.6
[M]- 176.94308858 145.6
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