CID 100602

N,n'-bisacrylylcystamine

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂S₂

SMILES

C=CC(=O)NCCSSCCNC(=O)C=C

InChI

InChI=1S/C10H16N2O2S2/c1-3-9(13)11-5-7-15-16-8-6-12-10(14)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)

InChIKey

DJVKJGIZQFBFGS-UHFFFAOYSA-N

Compound name

N-[2-[2-(prop-2-enoylamino)ethyldisulfanyl]ethyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2693
Patents: 260.0653 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]+	261.07258	158.2
[M+Na]+	283.05452	161.9
[M-H]-	259.05802	157.0
[M+NH4]+	278.09912	174.3
[M+K]+	299.02846	156.7
[M+H-H2O]+	243.06256	151.0
[M+HCOO]-	305.06350	169.8
[M+CH3COO]-	319.07915	198.0
[M+Na-2H]-	281.03997	156.4
[M]+	260.06475	160.2
[M]-	260.06585	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe