CID 2774464

4-bromo-5-methyl-1,2-oxazol-3-amine

Structural Information

Molecular Formula
C4H5BrN2O
SMILES
CC1=C(C(=NO1)N)Br
InChI
InChI=1S/C4H5BrN2O/c1-2-3(5)4(6)7-8-2/h1H3,(H2,6,7)
InChIKey
JEZOZNWEHSNXPQ-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

175.95853 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.96581 126.9
[M+Na]+ 198.94775 140.4
[M-H]- 174.95125 132.9
[M+NH4]+ 193.99235 149.7
[M+K]+ 214.92169 131.3
[M+H-H2O]+ 158.95579 126.7
[M+HCOO]- 220.95673 149.6
[M+CH3COO]- 234.97238 178.1
[M+Na-2H]- 196.93320 135.0
[M]+ 175.95798 145.6
[M]- 175.95908 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