CID 11564528

Glyceryl 2-thioglycolate

Structural Information

Molecular Formula
C5H10O4S
SMILES
C(C(CO)OC(=O)CS)O
InChI
InChI=1S/C5H10O4S/c6-1-4(2-7)9-5(8)3-10/h4,6-7,10H,1-3H2
InChIKey
OZPCOYXNWPZBFW-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 2-sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

600
Patents

166.02998 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.037256 133.6
[M+Na]+ 189.019198 139.8
[M-H]- 165.022704 131.3
[M+NH4]+ 184.063803 153.1
[M+K]+ 204.993138 139.0
[M+H-H2O]+ 149.027240 128.9
[M+HCOO]- 211.028181 148.3
[M+CH3COO]- 225.043831 170.9
[M+Na-2H]- 187.004646 134.4
[M]+ 166.02943142 136.4
[M]- 166.03052858 136.4
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

patents stripe