CID 205215

Brn 1977227

Structural Information

Molecular Formula

C₇H₁₇NO₄S₄

SMILES

CN(C)C(CSS(=O)(=O)C)CSS(=O)(=O)C

InChI

InChI=1S/C7H17NO4S4/c1-8(2)7(5-13-15(3,9)10)6-14-16(4,11)12/h7H,5-6H2,1-4H3

InChIKey

URMSKOIPICHNCM-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1,3-bis(methylsulfonylsulfanyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.00403 Da
Monoisotopic Mass: 0.0
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]+	308.011306	171.2
[M+Na]+	329.993248	175.3
[M-H]-	305.996754	169.2
[M+NH4]+	325.037853	184.4
[M+K]+	345.967188	168.1
[M+H-H2O]+	290.001290	163.7
[M+HCOO]-	352.002231	169.1
[M+CH3COO]-	366.017881	204.2
[M+Na-2H]-	327.978696	171.6
[M]+	307.00348142	172.6
[M]-	307.00457858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe