CID 135590502

Methanone, (5-amino-1,2,4-oxadiazol-3-yl)phenyl-, oxime

Structural Information

Molecular Formula
C9H8N4O2
SMILES
C1=CC=C(C=C1)/C(=N/O)/C2=NOC(=N2)N
InChI
InChI=1S/C9H8N4O2/c10-9-11-8(13-15-9)7(12-14)6-4-2-1-3-5-6/h1-5,14H,(H2,10,11,13)/b12-7-
InChIKey
BKDMMSATLIXMFD-GHXNOFRVSA-N
Compound name
(NZ)-N-[(5-amino-1,2,4-oxadiazol-3-yl)-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.06473 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.072006 141.3
[M+Na]+ 227.053948 149.2
[M-H]- 203.057454 146.2
[M+NH4]+ 222.098553 156.9
[M+K]+ 243.027888 147.7
[M+H-H2O]+ 187.061990 132.6
[M+HCOO]- 249.062931 165.7
[M+CH3COO]- 263.078581 186.2
[M+Na-2H]- 225.039396 148.2
[M]+ 204.06418142 140.4
[M]- 204.06527858 140.4
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.