CID 24776729

1152170-62-1

Structural Information

Molecular Formula
C7H8O3S
SMILES
COC(=O)[C@@H](C1=CSC=C1)O
InChI
InChI=1S/C7H8O3S/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6,8H,1H3/t6-/m1/s1
InChIKey
NZCDRFOXNLBJNR-ZCFIWIBFSA-N
Compound name
methyl (2R)-2-hydroxy-2-thiophen-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

172.01941 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.026686 135.7
[M+Na]+ 195.008628 143.3
[M-H]- 171.012134 138.5
[M+NH4]+ 190.053233 157.5
[M+K]+ 210.982568 142.2
[M+H-H2O]+ 155.016670 130.7
[M+HCOO]- 217.017611 153.6
[M+CH3COO]- 231.033261 172.8
[M+Na-2H]- 192.994076 136.4
[M]+ 172.01886142 138.3
[M]- 172.01995858 138.3
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.