CID 81222879

1443288-43-4

Structural Information

Molecular Formula
C6H9BrN2O
SMILES
CC(C)C1=NOC(=N1)CBr
InChI
InChI=1S/C6H9BrN2O/c1-4(2)6-8-5(3-7)10-9-6/h4H,3H2,1-2H3
InChIKey
FTWUWCBRRPVREH-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-propan-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.98982 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.997096 135.1
[M+Na]+ 226.979038 147.8
[M-H]- 202.982544 139.8
[M+NH4]+ 222.023643 156.0
[M+K]+ 242.952978 139.4
[M+H-H2O]+ 186.987080 134.7
[M+HCOO]- 248.988021 154.9
[M+CH3COO]- 263.003671 182.3
[M+Na-2H]- 224.964486 142.4
[M]+ 203.98927142 155.9
[M]- 203.99036858 155.9
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