CID 20434386

5-(bromomethyl)-3-methyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C4H5BrN2O
SMILES
CC1=NOC(=N1)CBr
InChI
InChI=1S/C4H5BrN2O/c1-3-6-4(2-5)8-7-3/h2H2,1H3
InChIKey
FGBNCTRUUSJCIS-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 124.9
[M+Na]+ 198.94775 138.7
[M-H]- 174.95125 129.8
[M+NH4]+ 193.99235 147.0
[M+K]+ 214.92169 130.5
[M+H-H2O]+ 158.95579 124.9
[M+HCOO]- 220.95673 146.3
[M+CH3COO]- 234.97238 175.9
[M+Na-2H]- 196.93320 134.5
[M]+ 175.95798 145.7
[M]- 175.95908 145.7
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