CID 78495

1,2,3-propanetrithiol

Structural Information

Molecular Formula
C3H8S3
SMILES
C(C(CS)S)S
InChI
InChI=1S/C3H8S3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey
UWHMFGKZAYHMDJ-UHFFFAOYSA-N
Compound name
propane-1,2,3-trithiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5014
Patents

139.97882 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.98610 121.6
[M+Na]+ 162.96804 129.3
[M-H]- 138.97154 121.6
[M+NH4]+ 158.01264 143.2
[M+K]+ 178.94198 125.5
[M+H-H2O]+ 122.97608 116.6
[M+HCOO]- 184.97702 127.2
[M+CH3COO]- 198.99267 174.6
[M+Na-2H]- 160.95349 121.0
[M]+ 139.97827 122.8
[M]- 139.97937 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe