CID 116176249

5-(oxolan-3-yl)thiophene-2-carboxylic acid

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]+ 199.042336 142.5
[M+Na]+ 221.024278 150.2
[M-H]- 197.027784 149.2
[M+NH4]+ 216.068883 163.9
[M+K]+ 236.998218 149.4
[M+H-H2O]+ 181.032320 138.3
[M+HCOO]- 243.033261 159.8
[M+CH3COO]- 257.048911 176.5
[M+Na-2H]- 219.009726 142.0
[M]+ 198.03451142 143.4
[M]- 198.03560858 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.