CID 99187

40283-56-5

Structural Information

Molecular Formula
C9H18N2O3S2
SMILES
C1CCC(CC1)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C9H18N2O3S2/c10-9(7-15-16(12,13)14)11-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,10,11)(H,12,13,14)
InChIKey
HBVPIONTJSERNY-UHFFFAOYSA-N
Compound name
[(1-amino-2-sulfosulfanylethylidene)amino]methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0759 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08318 157.0
[M+Na]+ 289.06512 159.8
[M-H]- 265.06862 157.8
[M+NH4]+ 284.10972 172.3
[M+K]+ 305.03906 155.6
[M+H-H2O]+ 249.07316 150.4
[M+HCOO]- 311.07410 165.8
[M+CH3COO]- 325.08975 194.3
[M+Na-2H]- 287.05057 157.4
[M]+ 266.07535 153.9
[M]- 266.07645 153.9
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.