CID 68505

1,3-dimercapto-2-propanol

Structural Information

Molecular Formula
C3H8OS2
SMILES
C(C(CS)O)S
InChI
InChI=1S/C3H8OS2/c4-3(1-5)2-6/h3-6H,1-2H2
InChIKey
WNPSAOYKQQUALV-UHFFFAOYSA-N
Compound name
1,3-bis(sulfanyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1828
Patents

124.001656 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.00893 120.2
[M+Na]+ 146.99087 127.6
[M-H]- 122.99438 119.4
[M+NH4]+ 142.03548 142.3
[M+K]+ 162.96481 125.5
[M+H-H2O]+ 106.99892 115.8
[M+HCOO]- 168.99986 131.0
[M+CH3COO]- 183.01551 167.5
[M+Na-2H]- 144.97632 120.9
[M]+ 124.00111 121.9
[M]- 124.00220 121.9
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.