CID 3080512

Brn 4266652

Structural Information

Molecular Formula
C13H22N2O4S2
SMILES
C1C2CC3(CC1CC(C2)(C3)O)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C13H22N2O4S2/c14-11(6-20-21(17,18)19)15-8-12-2-9-1-10(3-12)5-13(16,4-9)7-12/h9-10,16H,1-8H2,(H2,14,15)(H,17,18,19)
InChIKey
VROXDCWSJPSYQX-UHFFFAOYSA-N
Compound name
1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-hydroxyadamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1021 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10938 165.3
[M+Na]+ 357.09132 167.9
[M+NH4]+ 352.13592 175.8
[M+K]+ 373.06526 157.5
[M-H]- 333.09482 160.1
[M+Na-2H]- 355.07677 163.0
[M]+ 334.10155 164.9
[M]- 334.10265 164.9
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.