CID 18467818

2-(thiophen-2-yl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C9H10O3S
SMILES
C1CC(OC1)(C2=CC=CS2)C(=O)O
InChI
InChI=1S/C9H10O3S/c10-8(11)9(4-2-5-12-9)7-3-1-6-13-7/h1,3,6H,2,4-5H2,(H,10,11)
InChIKey
LOHWTJFHJYNVTI-UHFFFAOYSA-N
Compound name
2-thiophen-2-yloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.03506 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.042336 142.2
[M+Na]+ 221.024278 149.8
[M-H]- 197.027784 148.7
[M+NH4]+ 216.068883 165.2
[M+K]+ 236.998218 149.2
[M+H-H2O]+ 181.032320 138.5
[M+HCOO]- 243.033261 159.5
[M+CH3COO]- 257.048911 174.9
[M+Na-2H]- 219.009726 143.8
[M]+ 198.03451142 143.0
[M]- 198.03560858 143.0
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