CID 99729

Methanethiol, n-cyclopentylamidino-, hydrogen thiosulfate

Structural Information

Molecular Formula
C7H14N2O3S2
SMILES
C1CCC(C1)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C7H14N2O3S2/c8-7(5-13-14(10,11)12)9-6-3-1-2-4-6/h6H,1-5H2,(H2,8,9)(H,10,11,12)
InChIKey
HSQOAMOZLVFMKV-UHFFFAOYSA-N
Compound name
[(1-amino-2-sulfosulfanylethylidene)amino]cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04459 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05187 151.5
[M+Na]+ 261.03381 155.5
[M+NH4]+ 256.07841 157.8
[M+K]+ 277.00775 151.0
[M-H]- 237.03731 150.9
[M+Na-2H]- 259.01926 152.1
[M]+ 238.04404 152.2
[M]- 238.04514 152.2
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.