CID 9571280

2,6-octadienal, 3,7-dimethyl-, oxime

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CC(=CCC/C(=C/C=N/O)/C)C

InChI

InChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,7-8,12H,4,6H2,1-3H3/b10-7+,11-8+

InChIKey

LXFKDMGMYAHNAQ-AMMQDNIMSA-N

Compound name

(NE)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 49
Patents: 167.13101 Da
Monoisotopic Mass: 3.3
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]+	168.138286	141.5
[M+Na]+	190.120228	146.9
[M-H]-	166.123734	141.4
[M+NH4]+	185.164833	161.9
[M+K]+	206.094168	145.2
[M+H-H2O]+	150.128270	136.3
[M+HCOO]-	212.129211	163.9
[M+CH3COO]-	226.144861	182.9
[M+Na-2H]-	188.105676	144.2
[M]+	167.13046142	141.3
[M]-	167.13155858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe