CID 511673

Chembl4802713

Structural Information

Molecular Formula
C8H12OS2
SMILES
C1CC2CC1CC2OC(=S)S
InChI
InChI=1S/C8H12OS2/c10-8(11)9-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,10,11)
InChIKey
JUAPRIPCMRDAKB-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.1]heptanyloxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03296 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04024 142.1
[M+Na]+ 211.02218 150.6
[M-H]- 187.02568 145.2
[M+NH4]+ 206.06678 168.1
[M+K]+ 226.99612 148.5
[M+H-H2O]+ 171.03022 139.4
[M+HCOO]- 233.03116 152.6
[M+CH3COO]- 247.04681 179.8
[M+Na-2H]- 209.00763 140.5
[M]+ 188.03241 144.5
[M]- 188.03351 144.5
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.