CID 116176249

1595820-65-7

Structural Information

Molecular Formula
C9H10O3S
SMILES
C1COCC1C2=CC=C(S2)C(=O)O
InChI
InChI=1S/C9H10O3S/c10-9(11)8-2-1-7(13-8)6-3-4-12-5-6/h1-2,6H,3-5H2,(H,10,11)
InChIKey
LTNMOLRNZRFEBV-UHFFFAOYSA-N
Compound name
5-(oxolan-3-yl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03506 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04234 142.5
[M+Na]+ 221.02428 150.2
[M-H]- 197.02778 149.2
[M+NH4]+ 216.06888 163.9
[M+K]+ 236.99822 149.4
[M+H-H2O]+ 181.03232 138.3
[M+HCOO]- 243.03326 159.8
[M+CH3COO]- 257.04891 176.5
[M+Na-2H]- 219.00973 142.0
[M]+ 198.03451 143.4
[M]- 198.03561 143.4
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

No patent data available for this compound.