CID 135432349

4-methylnioxime

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CC1CCC(=NO)C(=NO)C1

InChI

InChI=1S/C7H12N2O2/c1-5-2-3-6(8-10)7(4-5)9-11/h5,10-11H,2-4H2,1H3

InChIKey

KQGMPJHDAPHKNY-UHFFFAOYSA-N

Compound name

N-(2-hydroxyimino-4-methylcyclohexylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 11
Patents: 156.08987 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.097146	131.2
[M+Na]+	179.079088	137.2
[M-H]-	155.082594	134.7
[M+NH4]+	174.123693	151.8
[M+K]+	195.053028	136.2
[M+H-H2O]+	139.087130	125.5
[M+HCOO]-	201.088071	154.9
[M+CH3COO]-	215.103721	179.4
[M+Na-2H]-	177.064536	136.7
[M]+	156.08932142	126.6
[M]-	156.09041858	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe