CID 218159

Brn 3973617

Structural Information

Molecular Formula
C10H18N2O3S2
SMILES
C1CC2CC1C[C@@H]2CN=C(COS(=O)(=S)O)N
InChI
InChI=1S/C10H18N2O3S2/c11-10(6-15-17(13,14)16)12-5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H2,11,12)(H,13,14,16)/t7?,8?,9-/m1/s1
InChIKey
PQGFVOURRHRXKN-AMDVSUOASA-N
Compound name
N'-[[(2S)-2-bicyclo[2.2.1]heptanyl]methyl]-2-hydroxysulfonothioyloxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0759 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08318 161.5
[M+Na]+ 301.06512 164.2
[M+NH4]+ 296.10972 168.2
[M+K]+ 317.03906 161.0
[M-H]- 277.06862 159.9
[M+Na-2H]- 299.05057 159.5
[M]+ 278.07535 161.7
[M]- 278.07645 161.7
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.