CID 243349

1,3-dithiolane-2-carboxylic acid

Structural Information

Molecular Formula
C4H6O2S2
SMILES
C1CSC(S1)C(=O)O
InChI
InChI=1S/C4H6O2S2/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6)
InChIKey
DSOVOUOPKYLGID-UHFFFAOYSA-N
Compound name
1,3-dithiolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

89
Patents

149.98093 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.98821 128.6
[M+Na]+ 172.97015 135.9
[M-H]- 148.97365 130.7
[M+NH4]+ 168.01475 151.2
[M+K]+ 188.94409 133.6
[M+H-H2O]+ 132.97819 124.3
[M+HCOO]- 194.97913 139.6
[M+CH3COO]- 208.99478 167.5
[M+Na-2H]- 170.95560 127.8
[M]+ 149.98038 127.6
[M]- 149.98148 127.6
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