CID 59035444

485800-29-1

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂S₂

SMILES

CC(C)(C)OC(=O)NCCSSCCCN

InChI

InChI=1S/C10H22N2O2S2/c1-10(2,3)14-9(13)12-6-8-16-15-7-4-5-11/h4-8,11H2,1-3H3,(H,12,13)

InChIKey

LBLRQRCRRGHDPW-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(3-aminopropyldisulfanyl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 266.11227 Da
Monoisotopic Mass: 1.0
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]+	267.11955	161.5
[M+Na]+	289.10149	165.0
[M-H]-	265.10499	159.8
[M+NH4]+	284.14609	177.6
[M+K]+	305.07543	161.2
[M+H-H2O]+	249.10953	154.6
[M+HCOO]-	311.11047	171.7
[M+CH3COO]-	325.12612	198.9
[M+Na-2H]-	287.08694	160.6
[M]+	266.11172	164.6
[M]-	266.11282	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe