CID 25010752

9-methylthiononanaldoxime

Structural Information

Molecular Formula

C₁₀H₂₁NOS

SMILES

CSCCCCCCCC/C=N/O

InChI

InChI=1S/C10H21NOS/c1-13-10-8-6-4-2-3-5-7-9-11-12/h9,12H,2-8,10H2,1H3/b11-9+

InChIKey

AOYJXBVIPWAMOG-PKNBQFBNSA-N

Compound name

(NE)-N-(9-methylsulfanylnonylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 203.13438 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]+	204.141656	148.1
[M+Na]+	226.123598	153.1
[M-H]-	202.127104	147.6
[M+NH4]+	221.168203	167.6
[M+K]+	242.097538	150.4
[M+H-H2O]+	186.131640	142.0
[M+HCOO]-	248.132581	166.5
[M+CH3COO]-	262.148231	188.3
[M+Na-2H]-	224.109046	149.9
[M]+	203.13383142	152.7
[M]-	203.13492858	152.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.