CID 178244304

[hydroxy(dimethylidene)-lambda6-sulfanyl]formate

Structural Information

Molecular Formula
C3H6O3S
SMILES
C=S(=C)(C(=O)O)O
InChI
InChI=1S/C3H6O3S/c1-7(2,6)3(4)5/h6H,1-2H2,(H,4,5)
InChIKey
USJSXBPNZPPYLE-UHFFFAOYSA-N
Compound name
[hydroxy(dimethylidene)-lambda6-sulfanyl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.00377 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.011046 120.4
[M+Na]+ 144.992988 128.7
[M-H]- 120.996494 118.7
[M+NH4]+ 140.037593 141.8
[M+K]+ 160.966928 126.6
[M+H-H2O]+ 105.001030 117.0
[M+HCOO]- 167.001971 135.3
[M+CH3COO]- 181.017621 160.4
[M+Na-2H]- 142.978436 123.9
[M]+ 122.00322142 119.7
[M]- 122.00431858 119.7
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.