CID 6366532

94291-65-3

Structural Information

Molecular Formula

C₆H₁₃NOS₂

SMILES

C/C(=N/O)/C(C)(SC)SC

InChI

InChI=1S/C6H13NOS2/c1-5(7-8)6(2,9-3)10-4/h8H,1-4H3/b7-5-

InChIKey

OCKMYMYYFVZHNS-ALCCZGGFSA-N

Compound name

(NZ)-N-[3,3-bis(methylsulfanyl)butan-2-ylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.04385 Da
Monoisotopic Mass: 1.9
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]+	180.05113	137.6
[M+Na]+	202.03307	143.9
[M-H]-	178.03657	137.6
[M+NH4]+	197.07767	157.8
[M+K]+	218.00701	141.3
[M+H-H2O]+	162.04111	132.2
[M+HCOO]-	224.04205	148.5
[M+CH3COO]-	238.05770	182.2
[M+Na-2H]-	200.01852	138.4
[M]+	179.04330	140.0
[M]-	179.04440	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.