CID 89723

6-octenal, 3,7-dimethyl-, oxime

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CC(CCC=C(C)C)CC=NO

InChI

InChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,8,10,12H,4,6-7H2,1-3H3

InChIKey

JUCCIEVMICHZPK-UHFFFAOYSA-N

Compound name

N-(3,7-dimethyloct-6-enylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 49
Patents: 169.14667 Da
Monoisotopic Mass: 3.2
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]+	170.153946	142.9
[M+Na]+	192.135888	148.0
[M-H]-	168.139394	142.8
[M+NH4]+	187.180493	163.3
[M+K]+	208.109828	146.8
[M+H-H2O]+	152.143930	137.7
[M+HCOO]-	214.144871	165.1
[M+CH3COO]-	228.160521	184.6
[M+Na-2H]-	190.121336	145.6
[M]+	169.14612142	143.5
[M]-	169.14721858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe