CID 62214305

Methyl 3-hydroxythiolane-3-carboxylate

Structural Information

Molecular Formula
C6H10O3S
SMILES
COC(=O)C1(CCSC1)O
InChI
InChI=1S/C6H10O3S/c1-9-5(7)6(8)2-3-10-4-6/h8H,2-4H2,1H3
InChIKey
KHMKIZOOAXYORP-UHFFFAOYSA-N
Compound name
methyl 3-hydroxythiolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.03506 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04234 133.4
[M+Na]+ 185.02428 140.5
[M-H]- 161.02778 135.7
[M+NH4]+ 180.06888 157.5
[M+K]+ 200.99822 139.8
[M+H-H2O]+ 145.03232 129.7
[M+HCOO]- 207.03326 149.7
[M+CH3COO]- 221.04891 169.2
[M+Na-2H]- 183.00973 135.5
[M]+ 162.03451 133.8
[M]- 162.03561 133.8
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.