CID 15402

Nereistoxin

Structural Information

Molecular Formula

C₅H₁₁NS₂

SMILES

CN(C)C1CSSC1

InChI

InChI=1S/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3

InChIKey

DSOOGBGKEWZRIH-UHFFFAOYSA-N

Compound name

N,N-dimethyldithiolan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 40
References: 7205
Patents: 149.0333 Da
Monoisotopic Mass: 0.8
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]+	150.040576	129.1
[M+Na]+	172.022518	136.0
[M-H]-	148.026024	133.8
[M+NH4]+	167.067123	153.0
[M+K]+	187.996458	135.0
[M+H-H2O]+	132.030560	123.7
[M+HCOO]-	194.031501	142.8
[M+CH3COO]-	208.047151	177.5
[M+Na-2H]-	170.007966	128.9
[M]+	149.03275142	129.2
[M]-	149.03384858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe