CID 218153

40283-60-1

Structural Information

Molecular Formula
C9H18N2O3S2
SMILES
C1CCCC(CC1)N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C9H18N2O3S2/c10-9(7-15-16(12,13)14)11-8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,10,11)(H,12,13,14)
InChIKey
VYSJWMOSNCCCOS-UHFFFAOYSA-N
Compound name
[(1-amino-2-sulfosulfanylethylidene)amino]cycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0759 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08318 159.0
[M+Na]+ 289.06512 158.6
[M-H]- 265.06862 160.6
[M+NH4]+ 284.10972 172.5
[M+K]+ 305.03906 160.6
[M+H-H2O]+ 249.07316 151.8
[M+HCOO]- 311.07410 166.9
[M+CH3COO]- 325.08975 195.4
[M+Na-2H]- 287.05057 158.0
[M]+ 266.07535 152.1
[M]- 266.07645 152.1
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.