CID 123988

Dimethyl dithiobispropionimidate

Structural Information

Molecular Formula

C₈H₁₆N₂O₂S₂

SMILES

COC(=N)CCSSCCC(=N)OC

InChI

InChI=1S/C8H16N2O2S2/c1-11-7(9)3-5-13-14-6-4-8(10)12-2/h9-10H,3-6H2,1-2H3

InChIKey

MBAXWTVHCRPVFW-UHFFFAOYSA-N

Compound name

methyl 3-[(3-imino-3-methoxypropyl)disulfanyl]propanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 57
References: 2509
Patents: 236.06532 Da
Monoisotopic Mass: 0.7
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]+	237.072596	151.4
[M+Na]+	259.054538	155.4
[M-H]-	235.058044	150.5
[M+NH4]+	254.099143	168.5
[M+K]+	275.028478	151.8
[M+H-H2O]+	219.062580	144.4
[M+HCOO]-	281.063521	163.2
[M+CH3COO]-	295.079171	193.9
[M+Na-2H]-	257.039986	150.4
[M]+	236.06477142	154.1
[M]-	236.06586858	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe