CID 64341

40283-72-5

Structural Information

Molecular Formula
C13H22N2O3S2
SMILES
C1C2CC3CC1CC(C2)(C3)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C13H22N2O3S2/c14-12(7-19-20(16,17)18)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H2,14,15)(H,16,17,18)
InChIKey
PBIXEKKBTRACPD-UHFFFAOYSA-N
Compound name
1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10718 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11446 167.1
[M+Na]+ 341.09640 166.6
[M-H]- 317.09990 158.7
[M+NH4]+ 336.14100 187.3
[M+K]+ 357.07034 164.5
[M+H-H2O]+ 301.10444 163.8
[M+HCOO]- 363.10538 163.6
[M+CH3COO]- 377.12103 172.5
[M+Na-2H]- 339.08185 179.4
[M]+ 318.10663 170.8
[M]- 318.10773 170.8
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.