CID 45108274

78818-78-7

Structural Information

Molecular Formula

C₇H₁₀OS₂

SMILES

CC1=CC=C(O1)CSSC

InChI

InChI=1S/C7H10OS2/c1-6-3-4-7(8-6)5-10-9-2/h3-4H,5H2,1-2H3

InChIKey

NVRIWCPYIZINPN-UHFFFAOYSA-N

Compound name

2-methyl-5-[(methyldisulfanyl)methyl]furan

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 9
Patents: 174.0173 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]+	175.02458	132.4
[M+Na]+	197.00652	142.4
[M-H]-	173.01002	137.4
[M+NH4]+	192.05112	154.5
[M+K]+	212.98046	140.5
[M+H-H2O]+	157.01456	127.9
[M+HCOO]-	219.01550	146.9
[M+CH3COO]-	233.03115	177.4
[M+Na-2H]-	194.99197	133.5
[M]+	174.01675	137.7
[M]-	174.01785	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe