CID 7756

4-methyl-2-pentanone oxime

Structural Information

Molecular Formula

SMILES

CC(C)CC(=NO)C

InChI

InChI=1S/C6H13NO/c1-5(2)4-6(3)7-8/h5,8H,4H2,1-3H3

InChIKey

ZKALVNREMFLWAN-UHFFFAOYSA-N

Compound name

N-(4-methylpentan-2-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4606
Patents: 115.09972 Da
Monoisotopic Mass: 1.5
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]+	116.106996	125.7
[M+Na]+	138.088938	132.0
[M-H]-	114.092444	126.2
[M+NH4]+	133.133543	148.2
[M+K]+	154.062878	132.5
[M+H-H2O]+	98.096980	121.1
[M+HCOO]-	160.097921	149.0
[M+CH3COO]-	174.113571	174.0
[M+Na-2H]-	136.074386	130.4
[M]+	115.09917142	125.5
[M]-	115.10026858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe