CID 474193

3-ethoxypropane-1,2-dithiol

Structural Information

Molecular Formula
C5H12OS2
SMILES
CCOCC(CS)S
InChI
InChI=1S/C5H12OS2/c1-2-6-3-5(8)4-7/h5,7-8H,2-4H2,1H3
InChIKey
LORHLLCTYJFTJA-UHFFFAOYSA-N
Compound name
3-ethoxypropane-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

152.03296 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04024 128.4
[M+Na]+ 175.02218 135.5
[M-H]- 151.02568 128.8
[M+NH4]+ 170.06678 150.2
[M+K]+ 190.99612 133.8
[M+H-H2O]+ 135.03022 123.4
[M+HCOO]- 197.03116 140.1
[M+CH3COO]- 211.04681 176.1
[M+Na-2H]- 173.00763 128.6
[M]+ 152.03241 132.7
[M]- 152.03351 132.7
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