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]+ 175.042336 127.4
[M+Na]+ 197.024278 132.0
[M-H]- 173.027784 132.1
[M+NH4]+ 192.068883 143.2
[M+K]+ 212.998218 134.9
[M+H-H2O]+ 157.032320 118.7
[M+HCOO]- 219.033261 141.0
[M+CH3COO]- 233.048911 175.1
[M+Na-2H]- 195.009726 130.5
[M]+ 174.03451142 135.2
[M]- 174.03560858 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.