CID 9604800

2-(1h-imidazol-2-yl)-1-(p-tolyl)ethanone oxime

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=CC=C(C=C1)/C(=N\O)/CC2=NC=CN2
InChI
InChI=1S/C12H13N3O/c1-9-2-4-10(5-3-9)11(15-16)8-12-13-6-7-14-12/h2-7,16H,8H2,1H3,(H,13,14)/b15-11-
InChIKey
DZXMJILNUGMPNF-PTNGSMBKSA-N
Compound name
(NZ)-N-[2-(1H-imidazol-2-yl)-1-(4-methylphenyl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.7
[M+Na]+ 238.09509 154.8
[M-H]- 214.09859 150.6
[M+NH4]+ 233.13969 164.2
[M+K]+ 254.06903 150.7
[M+H-H2O]+ 198.10313 139.3
[M+HCOO]- 260.10407 169.9
[M+CH3COO]- 274.11972 186.1
[M+Na-2H]- 236.08054 152.4
[M]+ 215.10532 145.7
[M]- 215.10642 145.7
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.