CID 23008065

1803566-73-5

Structural Information

Molecular Formula
C9H8BrN3O
SMILES
C1=CC(=CC(=C1)Br)C2=NOC(=N2)CN
InChI
InChI=1S/C9H8BrN3O/c10-7-3-1-2-6(4-7)9-12-8(5-11)14-13-9/h1-4H,5,11H2
InChIKey
CNYSURCYRCFOLK-UHFFFAOYSA-N
Compound name
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.98508 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99236 145.8
[M+Na]+ 275.97430 158.4
[M-H]- 251.97780 153.2
[M+NH4]+ 271.01890 164.1
[M+K]+ 291.94824 147.9
[M+H-H2O]+ 235.98234 144.0
[M+HCOO]- 297.98328 167.3
[M+CH3COO]- 311.99893 160.8
[M+Na-2H]- 273.95975 153.4
[M]+ 252.98453 164.7
[M]- 252.98563 164.7
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

No patent data available for this compound.