CID 3040206

Brn 0788824

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CC1=CC=C(C=C1)C(=O)C2=NOC(=N2)N
InChI
InChI=1S/C10H9N3O2/c1-6-2-4-7(5-3-6)8(14)9-12-10(11)15-13-9/h2-5H,1H3,(H2,11,12,13)
InChIKey
PWPVKTRRIHVYPJ-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06947 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 142.3
[M+Na]+ 226.05869 151.6
[M-H]- 202.06219 147.5
[M+NH4]+ 221.10329 158.6
[M+K]+ 242.03263 149.9
[M+H-H2O]+ 186.06673 134.3
[M+HCOO]- 248.06767 165.3
[M+CH3COO]- 262.08332 185.9
[M+Na-2H]- 224.04414 147.4
[M]+ 203.06892 143.0
[M]- 203.07002 143.0
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.