CID 2763220

(3-bromo-1,2-oxazol-5-yl)methanol

Structural Information

Molecular Formula
C4H4BrNO2
SMILES
C1=C(ON=C1Br)CO
InChI
InChI=1S/C4H4BrNO2/c5-4-1-3(2-7)8-6-4/h1,7H,2H2
InChIKey
IPMKBMJCEWOFOB-UHFFFAOYSA-N
Compound name
(3-bromo-1,2-oxazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
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

literature stripe

Patent stripe

patents stripe