CID 303780

Nsc187494

Structural Information

Molecular Formula
C9H16N2O3S2
SMILES
C1CC2CC1CC2N=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C9H16N2O3S2/c10-9(5-15-16(12,13)14)11-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H2,10,11)(H,12,13,14)
InChIKey
MTXZZJCYHSYXTB-UHFFFAOYSA-N
Compound name
2-[(1-amino-2-sulfosulfanylethylidene)amino]bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06024 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06752 158.8
[M+Na]+ 287.04946 164.7
[M-H]- 263.05296 160.2
[M+NH4]+ 282.09406 180.0
[M+K]+ 303.02340 161.8
[M+H-H2O]+ 247.05750 155.2
[M+HCOO]- 309.05844 169.1
[M+CH3COO]- 323.07409 194.4
[M+Na-2H]- 285.03491 159.5
[M]+ 264.05969 159.6
[M]- 264.06079 159.6
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.