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]+ 177.94982 125.9
[M+Na]+ 199.93176 139.0
[M-H]- 175.93526 130.8
[M+NH4]+ 194.97636 148.3
[M+K]+ 215.90570 130.3
[M+H-H2O]+ 159.93980 126.5
[M+HCOO]- 221.94074 147.1
[M+CH3COO]- 235.95639 172.7
[M+Na-2H]- 197.91721 135.0
[M]+ 176.94199 145.6
[M]- 176.94309 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