CID 218165

S-((n-tetrahydrofurfurylamidino)methyl) hydrogen thiosulfate

Structural Information

Molecular Formula
C7H14N2O4S2
SMILES
C1C[C@H](OC1)CN=C(COS(=O)(=S)O)N
InChI
InChI=1S/C7H14N2O4S2/c8-7(5-13-15(10,11)14)9-4-6-2-1-3-12-6/h6H,1-5H2,(H2,8,9)(H,10,11,14)/t6-/m0/s1
InChIKey
RNZNYDUSDMAFDI-LURJTMIESA-N
Compound name
2-hydroxysulfonothioyloxy-N'-[[(2S)-oxolan-2-yl]methyl]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0395 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04678 155.3
[M+Na]+ 277.02872 159.2
[M+NH4]+ 272.07332 160.9
[M+K]+ 293.00266 155.5
[M-H]- 253.03222 155.4
[M+Na-2H]- 275.01417 155.0
[M]+ 254.03895 156.2
[M]- 254.04005 156.2
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.