CID 64340

40283-70-3

Structural Information

Molecular Formula
C12H20N2O3S2
SMILES
C1C2CC3CC1CC(C2)(C3)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C12H20N2O3S2/c13-11(7-18-19(15,16)17)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H2,13,14)(H,15,16,17)
InChIKey
QJASRALIKMGNNE-UHFFFAOYSA-N
Compound name
1-[(1-amino-2-sulfosulfanylethylidene)amino]adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.09152 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09880 163.1
[M+Na]+ 327.08074 163.1
[M-H]- 303.08424 154.9
[M+NH4]+ 322.12534 183.9
[M+K]+ 343.05468 161.2
[M+H-H2O]+ 287.08878 159.9
[M+HCOO]- 349.08972 159.9
[M+CH3COO]- 363.10537 168.9
[M+Na-2H]- 325.06619 175.8
[M]+ 304.09097 166.5
[M]- 304.09207 166.5
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.