CID 155821701

2460754-33-8

Structural Information

Molecular Formula
C7H10O3S
SMILES
C1C(C2(COC2)CS1)C(=O)O
InChI
InChI=1S/C7H10O3S/c8-6(9)5-1-11-4-7(5)2-10-3-7/h5H,1-4H2,(H,8,9)
InChIKey
ZFTLYPMGTQUDQJ-UHFFFAOYSA-N
Compound name
2-oxa-6-thiaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.03506 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.04234 127.4
[M+Na]+ 197.02428 132.0
[M-H]- 173.02778 132.1
[M+NH4]+ 192.06888 143.2
[M+K]+ 212.99822 134.9
[M+H-H2O]+ 157.03232 118.7
[M+HCOO]- 219.03326 141.0
[M+CH3COO]- 233.04891 175.1
[M+Na-2H]- 195.00973 130.5
[M]+ 174.03451 135.2
[M]- 174.03561 135.2
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.