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

7147
Patents

149.0333 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.04058 129.1
[M+Na]+ 172.02252 136.0
[M-H]- 148.02602 133.8
[M+NH4]+ 167.06712 153.0
[M+K]+ 187.99646 135.0
[M+H-H2O]+ 132.03056 123.7
[M+HCOO]- 194.03150 142.8
[M+CH3COO]- 208.04715 177.5
[M+Na-2H]- 170.00797 128.9
[M]+ 149.03275 129.2
[M]- 149.03385 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.