CID 5480613

2-(1h-imidazol-1-yl)-1-phenylethanone oxime

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1=CC=C(C=C1)/C(=N/O)/CN2C=CN=C2
InChI
InChI=1S/C11H11N3O/c15-13-11(8-14-7-6-12-9-14)10-4-2-1-3-5-10/h1-7,9,15H,8H2/b13-11+
InChIKey
SJCZWQOTCWDEHH-ACCUITESSA-N
Compound name
(NZ)-N-(2-imidazol-1-yl-1-phenylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

201.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 142.6
[M+Na]+ 224.07943 149.5
[M-H]- 200.08293 146.6
[M+NH4]+ 219.12403 160.0
[M+K]+ 240.05337 146.7
[M+H-H2O]+ 184.08747 133.8
[M+HCOO]- 246.08841 166.6
[M+CH3COO]- 260.10406 184.5
[M+Na-2H]- 222.06488 149.0
[M]+ 201.08966 141.7
[M]- 201.09076 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe