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 151.7
[M+Na]+ 261.03381 156.6
[M-H]- 237.03731 153.5
[M+NH4]+ 256.07841 170.1
[M+K]+ 277.00775 153.2
[M+H-H2O]+ 221.04185 145.8
[M+HCOO]- 283.04279 163.2
[M+CH3COO]- 297.05844 188.0
[M+Na-2H]- 259.01926 151.6
[M]+ 238.04404 150.2
[M]- 238.04514 150.2
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.