CID 3058793

75606-63-2

Structural Information

Molecular Formula

C₁₀H₁₇NS

SMILES

CC1(NCCS1)CCCC=C=C

InChI

InChI=1S/C10H17NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h4,11H,1,5-9H2,2H3

InChIKey

FORUAYKOOYHLKM-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.10817 Da
Monoisotopic Mass: 2.0
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]+	184.11545	142.6
[M+Na]+	206.09739	149.1
[M-H]-	182.10089	142.9
[M+NH4]+	201.14199	164.8
[M+K]+	222.07133	145.1
[M+H-H2O]+	166.10543	137.6
[M+HCOO]-	228.10637	157.1
[M+CH3COO]-	242.12202	176.2
[M+Na-2H]-	204.08284	143.3
[M]+	183.10762	140.6
[M]-	183.10872	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.