CID 3009837

Schembl19148252

Structural Information

Molecular Formula

C₁₆H₃₂N₂S₂

SMILES

CCN(C1CCCCC1)SSN(CC)C2CCCCC2

InChI

InChI=1S/C16H32N2S2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h15-16H,3-14H2,1-2H3

InChIKey

CQZAURRGJZNNCG-UHFFFAOYSA-N

Compound name

N-[[cyclohexyl(ethyl)amino]disulfanyl]-N-ethylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 316.20068 Da
Monoisotopic Mass: 5.7
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]+	317.20796	172.9
[M+Na]+	339.18990	171.3
[M-H]-	315.19340	178.3
[M+NH4]+	334.23450	187.7
[M+K]+	355.16384	168.6
[M+H-H2O]+	299.19794	164.3
[M+HCOO]-	361.19888	179.9
[M+CH3COO]-	375.21453	214.6
[M+Na-2H]-	337.17535	169.8
[M]+	316.20013	168.5
[M]-	316.20123	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe