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 154.5
[M+Na]+ 277.02872 159.4
[M-H]- 253.03222 157.0
[M+NH4]+ 272.07332 171.1
[M+K]+ 293.00266 157.3
[M+H-H2O]+ 237.03676 148.6
[M+HCOO]- 299.03770 165.8
[M+CH3COO]- 313.05335 190.2
[M+Na-2H]- 275.01417 155.6
[M]+ 254.03895 154.8
[M]- 254.04005 154.8
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.