CID 22245556

T-boc-cystamine

Structural Information

Molecular Formula

C₉H₂₀N₂O₂S₂

SMILES

CC(C)(C)OC(=O)NCCSSCCN

InChI

InChI=1S/C9H20N2O2S2/c1-9(2,3)13-8(12)11-5-7-15-14-6-4-10/h4-7,10H2,1-3H3,(H,11,12)

InChIKey

XGHNLHVZHBSTHO-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(2-aminoethyldisulfanyl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 251
Patents: 252.09662 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]+	253.10390	158.9
[M+Na]+	275.08584	163.8
[M+NH4]+	270.13044	165.2
[M+K]+	291.05978	156.6
[M-H]-	251.08934	157.8
[M+Na-2H]-	273.07129	158.9
[M]+	252.09607	159.8
[M]-	252.09717	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe